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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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/BYH-ab1755c6/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/BYH-ab1755c6/inputs/seq.fa: 1 curr_seq: _CAACUAAACG_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CAACUAAACG 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: -58.254321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.254321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.254321 (E_RNA) where: Base-Base interactions energy: -24.552 where: short stacking energy: -17.281 Base-Backbone interact. energy: -0.100 local terms energy: -33.602962 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -7.090 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -66.706066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.706066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.706066 (E_RNA) where: Base-Base interactions energy: -30.669 where: short stacking energy: -30.669 Base-Backbone interact. energy: -0.000 local terms energy: -36.036922 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.799 tors. eta vs tors. theta energy: -7.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -58.299789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.299789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.299789 (E_RNA) where: Base-Base interactions energy: -25.854 where: short stacking energy: -23.246 Base-Backbone interact. energy: -0.038 local terms energy: -32.407846 where: bonds (distance) C4'-P energy: -6.550 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -52.067396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.067396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.067396 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -19.124 Base-Backbone interact. energy: -0.041 local terms energy: -31.895570 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -56.750675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750675 (E_RNA) where: Base-Base interactions energy: -29.181 where: short stacking energy: -20.790 Base-Backbone interact. energy: -0.021 local terms energy: -27.549002 where: bonds (distance) C4'-P energy: -5.469 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -6.747 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -58.213010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.213010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.213010 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -26.895 Base-Backbone interact. energy: 0.069 local terms energy: -28.543442 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -7.060 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -49.993961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993961 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -31.059290 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -49.469389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.469389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.469389 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.000 local terms energy: -26.518817 where: bonds (distance) C4'-P energy: -6.793 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -3.794 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -42.361833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361833 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -9.893 Base-Backbone interact. energy: -0.139 local terms energy: -24.738276 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -39.778212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.778212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.778212 (E_RNA) where: Base-Base interactions energy: -11.323 where: short stacking energy: -11.723 Base-Backbone interact. energy: -0.003 local terms energy: -28.452994 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.120 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -63.799230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799230 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -27.936 Base-Backbone interact. energy: -0.000 local terms energy: -35.862925 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -6.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -74.234172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.234172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.234172 (E_RNA) where: Base-Base interactions energy: -43.760 where: short stacking energy: -25.417 Base-Backbone interact. energy: 1.864 local terms energy: -32.337905 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.247 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -60.999538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.999538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.999538 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -25.238 Base-Backbone interact. energy: -0.000 local terms energy: -34.573510 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.354 tors. eta vs tors. theta energy: -5.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -62.293980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.293980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.293980 (E_RNA) where: Base-Base interactions energy: -34.720 where: short stacking energy: -21.789 Base-Backbone interact. energy: -0.147 local terms energy: -27.426696 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -4.513 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -4.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -53.578094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.578094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.578094 (E_RNA) where: Base-Base interactions energy: -23.144 where: short stacking energy: -16.544 Base-Backbone interact. energy: -0.018 local terms energy: -30.416596 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -6.475 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: 6, replica: 7 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -56.276096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.276096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.276096 (E_RNA) where: Base-Base interactions energy: -26.563 where: short stacking energy: -20.554 Base-Backbone interact. energy: -0.001 local terms energy: -29.711829 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.762 flat angles C4'-P-C4' energy: -8.280 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -2.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -40.381938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.381938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.381938 (E_RNA) where: Base-Base interactions energy: -15.277 where: short stacking energy: -11.054 Base-Backbone interact. energy: -0.203 local terms energy: -24.901598 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -48.452544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.452544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.452544 (E_RNA) where: Base-Base interactions energy: -17.881 where: short stacking energy: -17.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.571987 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -2.862 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: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -50.095754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.095754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.095754 (E_RNA) where: Base-Base interactions energy: -28.068 where: short stacking energy: -19.451 Base-Backbone interact. energy: -0.019 local terms energy: -22.008950 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: 3.737 tors. eta vs tors. theta energy: -4.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -40.259528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.259528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.259528 (E_RNA) where: Base-Base interactions energy: -18.526 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.149 local terms energy: -21.584918 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -1.956 flat angles P-C4'-P energy: -2.973 tors. eta vs tors. theta energy: 0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -55.951160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.951160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.951160 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -12.902 Base-Backbone interact. energy: -0.301 local terms energy: -30.532136 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -5.475 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: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -53.789179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789179 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -22.393 Base-Backbone interact. energy: -0.006 local terms energy: -31.389758 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.877 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.424 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: 4 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -62.913922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.913922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.913922 (E_RNA) where: Base-Base interactions energy: -29.042 where: short stacking energy: -29.042 Base-Backbone interact. energy: -0.000 local terms energy: -33.871597 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -2.024 tors. eta vs tors. theta energy: -9.701 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: 4, replica: 2 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -50.199958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.199958 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -19.140 Base-Backbone interact. energy: -0.158 local terms energy: -30.902522 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -54.054936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.054936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.054936 (E_RNA) where: Base-Base interactions energy: -24.405 where: short stacking energy: -24.405 Base-Backbone interact. energy: -0.001 local terms energy: -29.648600 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -51.897960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.897960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.897960 (E_RNA) where: Base-Base interactions energy: -19.828 where: short stacking energy: -19.828 Base-Backbone interact. energy: -0.008 local terms energy: -32.062210 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.884 flat angles P-C4'-P energy: -3.942 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: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -48.548873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.548873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.548873 (E_RNA) where: Base-Base interactions energy: -17.596 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.001 local terms energy: -30.952136 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -1.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -52.294135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.294135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.294135 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.021 local terms energy: -29.774339 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -0.858 tors. eta vs tors. theta energy: -6.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -43.853166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.853166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.853166 (E_RNA) where: Base-Base interactions energy: -16.369 where: short stacking energy: -16.369 Base-Backbone interact. energy: -0.004 local terms energy: -27.479482 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.477 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -4.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -45.640185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640185 (E_RNA) where: Base-Base interactions energy: -20.380 where: short stacking energy: -20.380 Base-Backbone interact. energy: -0.082 local terms energy: -25.178225 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -2.564 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -4.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -62.966928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966928 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -26.928 Base-Backbone interact. energy: -0.000 local terms energy: -36.038854 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.140 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: 2, replica: 4 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -65.248513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.248513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.248513 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -28.581 Base-Backbone interact. energy: -0.000 local terms energy: -30.932629 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.178 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -58.258076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.258076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.258076 (E_RNA) where: Base-Base interactions energy: -24.862 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.001 local terms energy: -33.395281 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -52.027057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.027057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.027057 (E_RNA) where: Base-Base interactions energy: -22.885 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.078 local terms energy: -29.064706 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -2.728 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: 5, replica: 2 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -58.383772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.383772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.383772 (E_RNA) where: Base-Base interactions energy: -21.923 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.000 local terms energy: -36.460526 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -5.070 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: 6, replica: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -47.806617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806617 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.000 local terms energy: -30.612733 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -6.590 flat angles C4'-P-C4' energy: -4.984 flat angles P-C4'-P energy: -6.722 tors. eta vs tors. theta energy: -5.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -49.460153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.460153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.460153 (E_RNA) where: Base-Base interactions energy: -19.373 where: short stacking energy: -19.373 Base-Backbone interact. energy: -0.003 local terms energy: -30.084722 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.693 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -3.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -49.097562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.097562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.097562 (E_RNA) where: Base-Base interactions energy: -19.726 where: short stacking energy: -19.726 Base-Backbone interact. energy: -0.005 local terms energy: -29.366670 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -5.556 flat angles C4'-P-C4' energy: -4.317 flat angles P-C4'-P energy: -6.577 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: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -45.988769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.988769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.988769 (E_RNA) where: Base-Base interactions energy: -23.354 where: short stacking energy: -12.933 Base-Backbone interact. energy: -0.026 local terms energy: -22.609436 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -2.547 tors. eta vs tors. theta energy: -0.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -39.395845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.395845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.395845 (E_RNA) where: Base-Base interactions energy: -14.861 where: short stacking energy: -14.116 Base-Backbone interact. energy: -0.011 local terms energy: -24.524306 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.986 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: 4 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -56.593821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.593821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.593821 (E_RNA) where: Base-Base interactions energy: -21.513 where: short stacking energy: -21.513 Base-Backbone interact. energy: -1.090 local terms energy: -33.991381 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.435 flat angles P-C4'-P energy: -3.282 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: 3 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -66.258405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.258405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.258405 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.004 local terms energy: -39.203601 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: -7.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -60.152434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.152434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.152434 (E_RNA) where: Base-Base interactions energy: -26.245 where: short stacking energy: -25.301 Base-Backbone interact. energy: -0.000 local terms energy: -33.907726 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -6.780 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: 1 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -57.679805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.679805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.679805 (E_RNA) where: Base-Base interactions energy: -26.429 where: short stacking energy: -15.404 Base-Backbone interact. energy: -0.014 local terms energy: -31.236368 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.958 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: 5, replica: 9 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -56.860273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.860273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.860273 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -21.725 Base-Backbone interact. energy: -0.001 local terms energy: -27.882066 where: bonds (distance) C4'-P energy: -2.765 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -3.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -50.577174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.577174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.577174 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -12.895 Base-Backbone interact. energy: -0.041 local terms energy: -30.386307 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -5.544 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: 7, replica: 6 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -52.330615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.330615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.330615 (E_RNA) where: Base-Base interactions energy: -20.069 where: short stacking energy: -12.218 Base-Backbone interact. energy: -0.032 local terms energy: -32.229789 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -3.715 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -7.864 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: 8, replica: 7 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -44.390790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.390790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.390790 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -16.439 Base-Backbone interact. energy: -0.008 local terms energy: -27.944336 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -4.687 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -48.022765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.022765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.022765 (E_RNA) where: Base-Base interactions energy: -18.383 where: short stacking energy: -15.207 Base-Backbone interact. energy: -0.005 local terms energy: -29.634170 where: bonds (distance) C4'-P energy: -5.739 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -9.224 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -41.633629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.633629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.633629 (E_RNA) where: Base-Base interactions energy: -11.296 where: short stacking energy: -11.296 Base-Backbone interact. energy: -0.084 local terms energy: -30.254096 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -2.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -52.471363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.471363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.471363 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.001 local terms energy: -33.837579 where: bonds (distance) C4'-P energy: -6.997 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.260 tors. eta vs tors. theta energy: -4.859 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: 7 Temperature: 0.950000 Total energy: -58.683283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.683283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.683283 (E_RNA) where: Base-Base interactions energy: -22.412 where: short stacking energy: -22.412 Base-Backbone interact. energy: -0.004 local terms energy: -36.267206 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -6.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -61.075973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075973 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -22.337 Base-Backbone interact. energy: -0.000 local terms energy: -38.738715 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -6.958 tors. eta vs tors. theta energy: -7.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -62.405761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.405761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.405761 (E_RNA) where: Base-Base interactions energy: -27.272 where: short stacking energy: -21.271 Base-Backbone interact. energy: -0.010 local terms energy: -35.124349 where: bonds (distance) C4'-P energy: -9.144 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -7.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -52.843407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.843407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.843407 (E_RNA) where: Base-Base interactions energy: -21.786 where: short stacking energy: -20.529 Base-Backbone interact. energy: -0.510 local terms energy: -30.547400 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -4.683 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: 7 Temperature: 1.150000 Total energy: -49.901003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.901003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.901003 (E_RNA) where: Base-Base interactions energy: -18.221 where: short stacking energy: -18.221 Base-Backbone interact. energy: -0.000 local terms energy: -31.679257 where: bonds (distance) C4'-P energy: -5.130 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -4.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -47.538722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.538722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.538722 (E_RNA) where: Base-Base interactions energy: -21.081 where: short stacking energy: -21.081 Base-Backbone interact. energy: -0.028 local terms energy: -26.429738 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -0.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -46.537078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537078 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -7.165 Base-Backbone interact. energy: -0.120 local terms energy: -28.921825 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -1.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -46.360697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.360697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.360697 (E_RNA) where: Base-Base interactions energy: -22.327 where: short stacking energy: -17.411 Base-Backbone interact. energy: -0.018 local terms energy: -24.015782 where: bonds (distance) C4'-P energy: 0.010 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.366 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -41.798534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.798534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.798534 (E_RNA) where: Base-Base interactions energy: -15.245 where: short stacking energy: -11.283 Base-Backbone interact. energy: -0.543 local terms energy: -26.010717 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -0.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -66.186293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.186293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.186293 (E_RNA) where: Base-Base interactions energy: -27.906 where: short stacking energy: -27.906 Base-Backbone interact. energy: -0.010 local terms energy: -38.270302 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -6.456 tors. eta vs tors. theta energy: -9.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -62.748391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.748391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.748391 (E_RNA) where: Base-Base interactions energy: -25.006 where: short stacking energy: -25.006 Base-Backbone interact. energy: -0.083 local terms energy: -37.658923 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -7.392 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: 9 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -75.270213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.270213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.270213 (E_RNA) where: Base-Base interactions energy: -44.681 where: short stacking energy: -24.280 Base-Backbone interact. energy: -0.008 local terms energy: -30.581280 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -2.909 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: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -53.697828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.697828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.697828 (E_RNA) where: Base-Base interactions energy: -20.774 where: short stacking energy: -20.774 Base-Backbone interact. energy: -0.055 local terms energy: -32.868676 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -52.964529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.964529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.964529 (E_RNA) where: Base-Base interactions energy: -24.526 where: short stacking energy: -7.602 Base-Backbone interact. energy: -0.004 local terms energy: -28.434468 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -2.957 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: 2 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -48.136075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.136075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.136075 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -10.130 Base-Backbone interact. energy: -0.007 local terms energy: -29.931758 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.281 tors. eta vs tors. theta energy: -1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -48.091841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.091841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.091841 (E_RNA) where: Base-Base interactions energy: -16.282 where: short stacking energy: -15.795 Base-Backbone interact. energy: -0.004 local terms energy: -31.805405 where: bonds (distance) C4'-P energy: -7.132 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -3.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -41.096935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.096935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.096935 (E_RNA) where: Base-Base interactions energy: -15.581 where: short stacking energy: -11.815 Base-Backbone interact. energy: 0.239 local terms energy: -25.754988 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -0.630 tors. eta vs tors. theta energy: -1.380 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: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -47.634302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.634302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.634302 (E_RNA) where: Base-Base interactions energy: -22.647 where: short stacking energy: -14.115 Base-Backbone interact. energy: -0.081 local terms energy: -24.906764 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -1.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -40.925996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.925996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.925996 (E_RNA) where: Base-Base interactions energy: -17.487 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.098 local terms energy: -23.340704 where: bonds (distance) C4'-P energy: -4.777 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -5.841 tors. eta vs tors. theta energy: -0.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -62.758818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.758818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.758818 (E_RNA) where: Base-Base interactions energy: -24.817 where: short stacking energy: -23.207 Base-Backbone interact. energy: -0.005 local terms energy: -37.936241 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -5.196 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: 2, replica: 9 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -56.429942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.429942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.429942 (E_RNA) where: Base-Base interactions energy: -20.875 where: short stacking energy: -20.875 Base-Backbone interact. energy: -0.130 local terms energy: -35.425122 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: -7.652 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: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -59.195273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.195273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.195273 (E_RNA) where: Base-Base interactions energy: -26.719 where: short stacking energy: -26.719 Base-Backbone interact. energy: 0.041 local terms energy: -32.517352 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -6.445 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: 1 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -62.858605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.858605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.858605 (E_RNA) where: Base-Base interactions energy: -32.261 where: short stacking energy: -21.493 Base-Backbone interact. energy: 0.088 local terms energy: -30.685517 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -4.489 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: 5, replica: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -51.879376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.879376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.879376 (E_RNA) where: Base-Base interactions energy: -17.476 where: short stacking energy: -17.476 Base-Backbone interact. energy: -0.069 local terms energy: -34.333818 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -4.949 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: 6, replica: 10 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -48.444137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.444137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.444137 (E_RNA) where: Base-Base interactions energy: -21.658 where: short stacking energy: -21.658 Base-Backbone interact. energy: 0.478 local terms energy: -27.264127 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.907 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -44.941174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.941174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.941174 (E_RNA) where: Base-Base interactions energy: -18.157 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.087 local terms energy: -26.696744 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -4.861 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -44.934197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.934197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.934197 (E_RNA) where: Base-Base interactions energy: -17.785 where: short stacking energy: -14.337 Base-Backbone interact. energy: -0.001 local terms energy: -27.148430 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -2.400 tors. eta vs tors. theta energy: -2.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -42.547451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.547451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.547451 (E_RNA) where: Base-Base interactions energy: -15.111 where: short stacking energy: -15.111 Base-Backbone interact. energy: -0.033 local terms energy: -27.402539 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -3.150 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -4.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -43.543036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.543036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.543036 (E_RNA) where: Base-Base interactions energy: -19.457 where: short stacking energy: -15.378 Base-Backbone interact. energy: -0.102 local terms energy: -23.984032 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -3.635 tors. eta vs tors. theta energy: -0.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -68.822407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.822407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.822407 (E_RNA) where: Base-Base interactions energy: -29.500 where: short stacking energy: -28.993 Base-Backbone interact. energy: -0.004 local terms energy: -39.317678 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -7.501 tors. eta vs tors. theta energy: -7.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -57.797746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.797746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.797746 (E_RNA) where: Base-Base interactions energy: -20.135 where: short stacking energy: -20.135 Base-Backbone interact. energy: -0.068 local terms energy: -37.595151 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -9.291 flat angles P-C4'-P energy: -5.995 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: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -50.886231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.886231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.886231 (E_RNA) where: Base-Base interactions energy: -20.308 where: short stacking energy: -20.308 Base-Backbone interact. energy: -0.055 local terms energy: -30.522963 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -57.265202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.265202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.265202 (E_RNA) where: Base-Base interactions energy: -24.860 where: short stacking energy: -19.921 Base-Backbone interact. energy: -0.057 local terms energy: -32.348130 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -53.829112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.829112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.829112 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.003 local terms energy: -29.985036 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -5.836 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: 6, replica: 10 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -52.739522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.739522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.739522 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -15.983 Base-Backbone interact. energy: 3.196 local terms energy: -28.625665 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.157 flat angles P-C4'-P energy: -3.001 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: 7, replica: 8 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -43.614010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.614010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.614010 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: -0.114 local terms energy: -32.868673 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -4.237 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -43.907972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.907972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.907972 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.336 Base-Backbone interact. energy: -0.010 local terms energy: -26.455227 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: -2.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -46.863273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.863273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.863273 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -16.623 Base-Backbone interact. energy: -0.122 local terms energy: -30.118090 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: -3.173 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: 10, replica: 6 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -43.094491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.094491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.094491 (E_RNA) where: Base-Base interactions energy: -16.376 where: short stacking energy: -14.170 Base-Backbone interact. energy: -0.017 local terms energy: -26.700989 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -1.484 tors. eta vs tors. theta energy: -1.444 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: 5 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -73.117063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.117063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.117063 (E_RNA) where: Base-Base interactions energy: -41.407 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.096 local terms energy: -31.613233 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -4.354 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: 2, replica: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -64.222720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.222720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.222720 (E_RNA) where: Base-Base interactions energy: -30.088 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.000 local terms energy: -34.134868 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.993 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: 3, replica: 9 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -57.039489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.039489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.039489 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.039 local terms energy: -32.877885 where: bonds (distance) C4'-P energy: -7.167 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.966 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: 4, replica: 4 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -62.036091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.036091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.036091 (E_RNA) where: Base-Base interactions energy: -24.722 where: short stacking energy: -19.885 Base-Backbone interact. energy: -0.001 local terms energy: -37.314049 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.633 flat angles P-C4'-P energy: -6.343 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -54.023574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.023574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.023574 (E_RNA) where: Base-Base interactions energy: -20.794 where: short stacking energy: -20.794 Base-Backbone interact. energy: -0.000 local terms energy: -33.229845 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -6.461 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: 6, replica: 10 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -58.361760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.361760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.361760 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -11.583 Base-Backbone interact. energy: -0.236 local terms energy: -27.924460 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: 0.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -57.607637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.607637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.607637 (E_RNA) where: Base-Base interactions energy: -23.819 where: short stacking energy: -8.575 Base-Backbone interact. energy: -0.017 local terms energy: -33.771831 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -7.338 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: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -43.933893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.933893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.933893 (E_RNA) where: Base-Base interactions energy: -10.530 where: short stacking energy: -9.841 Base-Backbone interact. energy: -0.018 local terms energy: -33.385714 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -2.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -44.950909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.950909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.950909 (E_RNA) where: Base-Base interactions energy: -14.382 where: short stacking energy: -13.613 Base-Backbone interact. energy: -0.020 local terms energy: -30.549161 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -4.192 flat angles P-C4'-P energy: -5.858 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: 6 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -39.251071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.251071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.251071 (E_RNA) where: Base-Base interactions energy: -12.963 where: short stacking energy: -8.996 Base-Backbone interact. energy: -0.008 local terms energy: -26.279634 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -4.164 tors. eta vs tors. theta energy: 1.103 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: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -73.201995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.201995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.201995 (E_RNA) where: Base-Base interactions energy: -35.139 where: short stacking energy: -35.139 Base-Backbone interact. energy: -0.000 local terms energy: -38.063322 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -9.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -63.889391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.889391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.889391 (E_RNA) where: Base-Base interactions energy: -29.820 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.001 local terms energy: -34.068272 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -6.466 tors. eta vs tors. theta energy: -4.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -53.998526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.998526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.998526 (E_RNA) where: Base-Base interactions energy: -22.171 where: short stacking energy: -22.171 Base-Backbone interact. energy: -0.025 local terms energy: -31.803469 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.669 flat angles P-C4'-P energy: -5.332 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: 4, replica: 9 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -64.563681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.563681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.563681 (E_RNA) where: Base-Base interactions energy: -33.013 where: short stacking energy: -28.296 Base-Backbone interact. energy: -0.004 local terms energy: -31.546179 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -5.134 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: 5, replica: 10 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -47.883841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.883841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.883841 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -19.715 Base-Backbone interact. energy: 0.396 local terms energy: -28.241394 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.913 tors. eta vs tors. theta energy: -1.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -47.735887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.735887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.735887 (E_RNA) where: Base-Base interactions energy: -18.652 where: short stacking energy: -10.722 Base-Backbone interact. energy: -0.014 local terms energy: -29.070430 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -46.359330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359330 (E_RNA) where: Base-Base interactions energy: -12.291 where: short stacking energy: -12.291 Base-Backbone interact. energy: -0.046 local terms energy: -34.022348 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -36.591568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.591568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.591568 (E_RNA) where: Base-Base interactions energy: -11.471 where: short stacking energy: -10.424 Base-Backbone interact. energy: -0.088 local terms energy: -25.033216 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -2.181 tors. eta vs tors. theta energy: 1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -49.608903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608903 (E_RNA) where: Base-Base interactions energy: -19.904 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.000 local terms energy: -29.705070 where: bonds (distance) C4'-P energy: -3.538 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -4.992 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: 2 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -39.308586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.308586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.308586 (E_RNA) where: Base-Base interactions energy: -14.800 where: short stacking energy: -12.146 Base-Backbone interact. energy: -0.133 local terms energy: -24.375420 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -3.844 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -70.165500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.165500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.165500 (E_RNA) where: Base-Base interactions energy: -31.052 where: short stacking energy: -31.052 Base-Backbone interact. energy: -0.000 local terms energy: -39.113020 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -9.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -67.378001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.378001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.378001 (E_RNA) where: Base-Base interactions energy: -32.327 where: short stacking energy: -26.605 Base-Backbone interact. energy: -0.000 local terms energy: -35.050737 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -4.706 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: 3, replica: 4 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -57.324617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.324617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.324617 (E_RNA) where: Base-Base interactions energy: -27.420 where: short stacking energy: -23.945 Base-Backbone interact. energy: -0.046 local terms energy: -29.858558 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -4.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -61.059569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.059569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.059569 (E_RNA) where: Base-Base interactions energy: -28.187 where: short stacking energy: -28.187 Base-Backbone interact. energy: -0.001 local terms energy: -32.871699 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -9.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -65.880813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.880813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.880813 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.000 local terms energy: -39.212473 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -8.906 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -54.850891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.850891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.850891 (E_RNA) where: Base-Base interactions energy: -23.984 where: short stacking energy: -23.984 Base-Backbone interact. energy: -0.003 local terms energy: -30.863998 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -5.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -52.188187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.188187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.188187 (E_RNA) where: Base-Base interactions energy: -19.344 where: short stacking energy: -13.818 Base-Backbone interact. energy: -0.002 local terms energy: -32.842040 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -3.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -44.226054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.226054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.226054 (E_RNA) where: Base-Base interactions energy: -15.765 where: short stacking energy: -15.765 Base-Backbone interact. energy: -0.023 local terms energy: -28.438208 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -4.647 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: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -43.890343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.890343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.890343 (E_RNA) where: Base-Base interactions energy: -14.913 where: short stacking energy: -14.913 Base-Backbone interact. energy: -0.009 local terms energy: -28.967431 where: bonds (distance) C4'-P energy: -6.637 bonds (distance) P-C4' energy: -7.746 flat angles C4'-P-C4' energy: -9.376 flat angles P-C4'-P energy: -5.028 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -43.537136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.537136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.537136 (E_RNA) where: Base-Base interactions energy: -15.886 where: short stacking energy: -15.886 Base-Backbone interact. energy: -0.011 local terms energy: -27.640028 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -3.010 tors. eta vs tors. theta energy: -1.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -74.947119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.947119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.947119 (E_RNA) where: Base-Base interactions energy: -41.920 where: short stacking energy: -24.508 Base-Backbone interact. energy: -0.001 local terms energy: -33.025884 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -4.219 tors. eta vs tors. theta energy: -5.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -68.738301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.738301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.738301 (E_RNA) where: Base-Base interactions energy: -30.917 where: short stacking energy: -30.917 Base-Backbone interact. energy: -0.003 local terms energy: -37.818056 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -9.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -60.483927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.483927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.483927 (E_RNA) where: Base-Base interactions energy: -24.513 where: short stacking energy: -23.022 Base-Backbone interact. energy: -0.021 local terms energy: -35.950055 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -4.822 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: 4, replica: 4 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -52.183239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.183239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.183239 (E_RNA) where: Base-Base interactions energy: -20.123 where: short stacking energy: -20.123 Base-Backbone interact. energy: -0.039 local terms energy: -32.021336 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -5.010 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: 5, replica: 7 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -54.658440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.658440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.658440 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.044 local terms energy: -29.834238 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -5.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -52.900601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.900601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.900601 (E_RNA) where: Base-Base interactions energy: -20.913 where: short stacking energy: -20.913 Base-Backbone interact. energy: -0.129 local terms energy: -31.858279 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.185 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: 7, replica: 6 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -53.540247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.540247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.540247 (E_RNA) where: Base-Base interactions energy: -29.649 where: short stacking energy: -16.876 Base-Backbone interact. energy: -0.097 local terms energy: -23.794870 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -3.144 flat angles P-C4'-P energy: -3.981 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: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -45.117917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.117917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.117917 (E_RNA) where: Base-Base interactions energy: -18.229 where: short stacking energy: -18.229 Base-Backbone interact. energy: -0.000 local terms energy: -26.888504 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -4.235 flat angles P-C4'-P energy: -6.812 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: 14 Temperature: 1.300000 Total energy: -46.289451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.289451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.289451 (E_RNA) where: Base-Base interactions energy: -22.027 where: short stacking energy: -14.284 Base-Backbone interact. energy: -0.672 local terms energy: -23.590492 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -4.868 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -0.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -40.154546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.154546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.154546 (E_RNA) where: Base-Base interactions energy: -11.592 where: short stacking energy: -11.592 Base-Backbone interact. energy: -0.046 local terms energy: -28.515773 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -4.415 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: 1, replica: 5 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -67.736870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.736870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.736870 (E_RNA) where: Base-Base interactions energy: -31.231 where: short stacking energy: -24.796 Base-Backbone interact. energy: -0.483 local terms energy: -36.023260 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -7.020 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: 2, replica: 10 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -68.229539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.229539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.229539 (E_RNA) where: Base-Base interactions energy: -32.427 where: short stacking energy: -32.427 Base-Backbone interact. energy: -0.000 local terms energy: -35.801984 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.122 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -11.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -61.019285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.019285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.019285 (E_RNA) where: Base-Base interactions energy: -28.891 where: short stacking energy: -25.396 Base-Backbone interact. energy: -0.036 local terms energy: -32.091981 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -3.878 tors. eta vs tors. theta energy: -4.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -52.352113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.352113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.352113 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -20.131 Base-Backbone interact. energy: -0.000 local terms energy: -32.221216 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -3.943 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -5.547 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: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -59.501101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.501101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.501101 (E_RNA) where: Base-Base interactions energy: -35.619 where: short stacking energy: -11.201 Base-Backbone interact. energy: -0.121 local terms energy: -23.760596 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -0.523 tors. eta vs tors. theta energy: -1.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -48.625311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.625311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.625311 (E_RNA) where: Base-Base interactions energy: -16.984 where: short stacking energy: -16.984 Base-Backbone interact. energy: -0.000 local terms energy: -31.641239 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.500 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -49.580542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.580542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.580542 (E_RNA) where: Base-Base interactions energy: -19.375 where: short stacking energy: -19.375 Base-Backbone interact. energy: -0.099 local terms energy: -30.107294 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -5.095 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: 8, replica: 2 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -40.077332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.077332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.077332 (E_RNA) where: Base-Base interactions energy: -14.928 where: short stacking energy: -14.374 Base-Backbone interact. energy: -0.021 local terms energy: -25.127428 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -4.469 flat angles P-C4'-P energy: -4.028 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: 9, replica: 3 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -42.138924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.138924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.138924 (E_RNA) where: Base-Base interactions energy: -14.942 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.002 local terms energy: -27.194307 where: bonds (distance) C4'-P energy: -3.858 bonds (distance) P-C4' energy: -5.788 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -6.108 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: 10, replica: 8 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -47.323680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323680 (E_RNA) where: Base-Base interactions energy: -19.426 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.077 local terms energy: -27.820511 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -0.660 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: 1, replica: 10 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -70.725871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.725871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.725871 (E_RNA) where: Base-Base interactions energy: -31.468 where: short stacking energy: -31.468 Base-Backbone interact. energy: -0.000 local terms energy: -39.257161 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -9.320 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: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -74.119691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.119691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.119691 (E_RNA) where: Base-Base interactions energy: -39.337 where: short stacking energy: -29.676 Base-Backbone interact. energy: -0.111 local terms energy: -34.672225 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -66.539167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.539167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.539167 (E_RNA) where: Base-Base interactions energy: -31.156 where: short stacking energy: -31.156 Base-Backbone interact. energy: -0.000 local terms energy: -35.383477 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -2.570 tors. eta vs tors. theta energy: -8.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -50.301807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.301807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.301807 (E_RNA) where: Base-Base interactions energy: -20.038 where: short stacking energy: -13.153 Base-Backbone interact. energy: -0.009 local terms energy: -30.255365 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: 0.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -64.785722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.785722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.785722 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -27.126 Base-Backbone interact. energy: -0.022 local terms energy: -37.521938 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -6.136 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: 6, replica: 4 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -48.375514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.375514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.375514 (E_RNA) where: Base-Base interactions energy: -21.221 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.009 local terms energy: -27.145075 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -1.078 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: 16 Temperature: 1.200000 Total energy: -41.039107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.039107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.039107 (E_RNA) where: Base-Base interactions energy: -13.876 where: short stacking energy: -13.876 Base-Backbone interact. energy: -0.060 local terms energy: -27.103346 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: 1.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -45.323777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.323777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.323777 (E_RNA) where: Base-Base interactions energy: -17.274 where: short stacking energy: -17.274 Base-Backbone interact. energy: -0.001 local terms energy: -28.049521 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -2.608 tors. eta vs tors. theta energy: -2.738 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: 16 Temperature: 1.300000 Total energy: -42.215105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.215105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.215105 (E_RNA) where: Base-Base interactions energy: -13.115 where: short stacking energy: -12.640 Base-Backbone interact. energy: -0.033 local terms energy: -29.066770 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -4.129 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -4.676 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: 3 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -46.489217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489217 (E_RNA) where: Base-Base interactions energy: -17.598 where: short stacking energy: -17.598 Base-Backbone interact. energy: -0.005 local terms energy: -28.886434 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -2.553 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: 1, replica: 10 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -80.274119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.274119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.274119 (E_RNA) where: Base-Base interactions energy: -43.763 where: short stacking energy: -24.711 Base-Backbone interact. energy: -0.028 local terms energy: -36.482892 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -9.163 flat angles P-C4'-P energy: -7.763 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: 2, replica: 7 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -60.362847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.362847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.362847 (E_RNA) where: Base-Base interactions energy: -23.982 where: short stacking energy: -23.982 Base-Backbone interact. energy: -0.016 local terms energy: -36.365337 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -5.134 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -68.100501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.100501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.100501 (E_RNA) where: Base-Base interactions energy: -33.097 where: short stacking energy: -19.176 Base-Backbone interact. energy: -0.218 local terms energy: -34.785272 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -9.343 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -51.379380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.379380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.379380 (E_RNA) where: Base-Base interactions energy: -25.663 where: short stacking energy: -13.340 Base-Backbone interact. energy: 2.220 local terms energy: -27.935806 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -2.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -49.622854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.622854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.622854 (E_RNA) where: Base-Base interactions energy: -18.602 where: short stacking energy: -18.602 Base-Backbone interact. energy: -0.015 local terms energy: -31.005257 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -49.779594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.779594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.779594 (E_RNA) where: Base-Base interactions energy: -18.560 where: short stacking energy: -18.560 Base-Backbone interact. energy: -0.019 local terms energy: -31.200481 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -6.766 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -45.526386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.526386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.526386 (E_RNA) where: Base-Base interactions energy: -16.845 where: short stacking energy: -16.845 Base-Backbone interact. energy: -0.026 local terms energy: -28.656169 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -5.609 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: 8, replica: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -43.171385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.171385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.171385 (E_RNA) where: Base-Base interactions energy: -14.517 where: short stacking energy: -14.517 Base-Backbone interact. energy: -0.164 local terms energy: -28.490259 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -4.668 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: 9, replica: 2 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -45.444044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.444044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.444044 (E_RNA) where: Base-Base interactions energy: -20.010 where: short stacking energy: -17.623 Base-Backbone interact. energy: -1.166 local terms energy: -24.268390 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -3.487 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -4.439 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: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -43.645212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.645212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.645212 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.000 local terms energy: -28.187941 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -3.994 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: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -70.952381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.952381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.952381 (E_RNA) where: Base-Base interactions energy: -35.404 where: short stacking energy: -21.027 Base-Backbone interact. energy: -0.028 local terms energy: -35.519776 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -7.685 tors. eta vs tors. theta energy: -4.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -57.764910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.764910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.764910 (E_RNA) where: Base-Base interactions energy: -21.006 where: short stacking energy: -21.006 Base-Backbone interact. energy: -0.000 local terms energy: -36.758332 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -5.480 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: 3, replica: 9 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -52.016037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.016037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.016037 (E_RNA) where: Base-Base interactions energy: -20.917 where: short stacking energy: -20.209 Base-Backbone interact. energy: -0.046 local terms energy: -31.054007 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -2.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -62.659142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.659142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.659142 (E_RNA) where: Base-Base interactions energy: -25.991 where: short stacking energy: -25.991 Base-Backbone interact. energy: -0.000 local terms energy: -36.667917 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -4.909 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: 5, replica: 1 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -51.592296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.592296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.592296 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -24.800 Base-Backbone interact. energy: -0.086 local terms energy: -26.705846 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.391 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: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -50.171080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.171080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.171080 (E_RNA) where: Base-Base interactions energy: -21.026 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.009 local terms energy: -29.135714 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.038 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -0.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -47.615728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.615728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.615728 (E_RNA) where: Base-Base interactions energy: -18.649 where: short stacking energy: -7.826 Base-Backbone interact. energy: -0.563 local terms energy: -28.403902 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.639 flat angles P-C4'-P energy: -7.623 tors. eta vs tors. theta energy: -0.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -50.716381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.716381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.716381 (E_RNA) where: Base-Base interactions energy: -22.083 where: short stacking energy: -14.911 Base-Backbone interact. energy: -0.000 local terms energy: -28.632807 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -3.866 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -42.615691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.615691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.615691 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.010 local terms energy: -31.372670 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.944 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -40.598296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.598296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.598296 (E_RNA) where: Base-Base interactions energy: -14.349 where: short stacking energy: -15.149 Base-Backbone interact. energy: -0.088 local terms energy: -26.161266 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -1.444 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: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -68.348593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.348593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.348593 (E_RNA) where: Base-Base interactions energy: -31.284 where: short stacking energy: -31.074 Base-Backbone interact. energy: -0.003 local terms energy: -37.061236 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -5.206 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: 2, replica: 9 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -59.602956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.602956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.602956 (E_RNA) where: Base-Base interactions energy: -27.270 where: short stacking energy: -27.270 Base-Backbone interact. energy: -0.002 local terms energy: -32.330467 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -4.677 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: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -67.461522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.461522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.461522 (E_RNA) where: Base-Base interactions energy: -31.099 where: short stacking energy: -31.099 Base-Backbone interact. energy: -0.001 local terms energy: -36.361715 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -5.388 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: 4, replica: 1 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -61.810020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.810020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.810020 (E_RNA) where: Base-Base interactions energy: -28.134 where: short stacking energy: -28.134 Base-Backbone interact. energy: -0.000 local terms energy: -33.676350 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.774 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -8.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -54.645192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.645192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.645192 (E_RNA) where: Base-Base interactions energy: -24.376 where: short stacking energy: -24.376 Base-Backbone interact. energy: -0.084 local terms energy: -30.184882 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -0.876 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: 6, replica: 6 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -67.746043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.746043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.746043 (E_RNA) where: Base-Base interactions energy: -36.456 where: short stacking energy: -22.113 Base-Backbone interact. energy: -0.098 local terms energy: -31.191291 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.724 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -53.344940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.344940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.344940 (E_RNA) where: Base-Base interactions energy: -23.305 where: short stacking energy: -23.305 Base-Backbone interact. energy: -0.001 local terms energy: -30.039513 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -4.715 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: 8, replica: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -49.386885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.386885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.386885 (E_RNA) where: Base-Base interactions energy: -17.711 where: short stacking energy: -17.711 Base-Backbone interact. energy: -0.114 local terms energy: -31.561598 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -2.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -42.597998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.597998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.597998 (E_RNA) where: Base-Base interactions energy: -13.564 where: short stacking energy: -13.564 Base-Backbone interact. energy: -0.009 local terms energy: -29.024878 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -4.977 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: 10, replica: 2 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -47.103053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.103053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.103053 (E_RNA) where: Base-Base interactions energy: -17.641 where: short stacking energy: -14.607 Base-Backbone interact. energy: -0.000 local terms energy: -29.461980 where: bonds (distance) C4'-P energy: -5.701 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -6.994 tors. eta vs tors. theta energy: -0.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -68.593367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.593367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.593367 (E_RNA) where: Base-Base interactions energy: -32.853 where: short stacking energy: -32.853 Base-Backbone interact. energy: -0.017 local terms energy: -35.723337 where: bonds (distance) C4'-P energy: -5.095 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -8.603 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: 10 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -70.040426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.040426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.040426 (E_RNA) where: Base-Base interactions energy: -32.837 where: short stacking energy: -32.837 Base-Backbone interact. energy: -0.000 local terms energy: -37.202894 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -9.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -54.379815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.379815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.379815 (E_RNA) where: Base-Base interactions energy: -15.983 where: short stacking energy: -15.983 Base-Backbone interact. energy: -0.000 local terms energy: -38.396807 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.573 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -58.150424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.150424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.150424 (E_RNA) where: Base-Base interactions energy: -24.250 where: short stacking energy: -21.972 Base-Backbone interact. energy: -0.113 local terms energy: -33.787825 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.419 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: 5, replica: 6 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -53.728549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.728549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.728549 (E_RNA) where: Base-Base interactions energy: -23.616 where: short stacking energy: -10.765 Base-Backbone interact. energy: -0.046 local terms energy: -30.066756 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -2.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -45.678206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.678206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.678206 (E_RNA) where: Base-Base interactions energy: -18.057 where: short stacking energy: -18.057 Base-Backbone interact. energy: -0.061 local terms energy: -27.560214 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -5.381 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: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -49.162454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.162454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.162454 (E_RNA) where: Base-Base interactions energy: -16.042 where: short stacking energy: -16.042 Base-Backbone interact. energy: -0.083 local terms energy: -33.037218 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -4.784 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: 8, replica: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -41.719190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.719190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.719190 (E_RNA) where: Base-Base interactions energy: -16.171 where: short stacking energy: -16.171 Base-Backbone interact. energy: -0.321 local terms energy: -25.227530 where: bonds (distance) C4'-P energy: -3.088 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -1.340 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: 2 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -49.040687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.040687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.040687 (E_RNA) where: Base-Base interactions energy: -17.102 where: short stacking energy: -16.875 Base-Backbone interact. energy: -0.063 local terms energy: -31.876535 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -47.745391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.745391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.745391 (E_RNA) where: Base-Base interactions energy: -19.617 where: short stacking energy: -11.225 Base-Backbone interact. energy: 1.531 local terms energy: -29.659244 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -3.724 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: 1, replica: 9 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -75.305296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.305296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.305296 (E_RNA) where: Base-Base interactions energy: -40.565 where: short stacking energy: -24.956 Base-Backbone interact. energy: -0.008 local terms energy: -34.732562 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -73.804954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.804954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.804954 (E_RNA) where: Base-Base interactions energy: -43.172 where: short stacking energy: -21.654 Base-Backbone interact. energy: -0.000 local terms energy: -30.632393 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -3.574 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -61.521043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.521043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.521043 (E_RNA) where: Base-Base interactions energy: -28.348 where: short stacking energy: -27.810 Base-Backbone interact. energy: -0.017 local terms energy: -33.156539 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.517 flat angles P-C4'-P energy: -4.940 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: 4, replica: 6 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -55.351569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.351569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.351569 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -17.316 Base-Backbone interact. energy: -0.821 local terms energy: -25.224997 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -5.077 flat angles C4'-P-C4' energy: -4.482 flat angles P-C4'-P energy: -4.608 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: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -56.233493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.233493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.233493 (E_RNA) where: Base-Base interactions energy: -31.846 where: short stacking energy: -14.495 Base-Backbone interact. energy: -0.024 local terms energy: -24.364005 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -7.141 flat angles P-C4'-P energy: -3.581 tors. eta vs tors. theta energy: -1.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -50.681507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.681507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.681507 (E_RNA) where: Base-Base interactions energy: -18.348 where: short stacking energy: -18.348 Base-Backbone interact. energy: -0.004 local terms energy: -32.328845 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -7.324 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: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -44.369076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.369076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.369076 (E_RNA) where: Base-Base interactions energy: -22.876 where: short stacking energy: -12.847 Base-Backbone interact. energy: -0.306 local terms energy: -21.187662 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -1.146 tors. eta vs tors. theta energy: 1.163 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: 2 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -52.088837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.088837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.088837 (E_RNA) where: Base-Base interactions energy: -22.931 where: short stacking energy: -22.931 Base-Backbone interact. energy: -0.001 local terms energy: -29.157220 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -2.003 tors. eta vs tors. theta energy: -5.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -41.095504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.095504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.095504 (E_RNA) where: Base-Base interactions energy: -17.544 where: short stacking energy: -16.029 Base-Backbone interact. energy: -0.105 local terms energy: -23.447218 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -5.695 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -42.996398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.996398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.996398 (E_RNA) where: Base-Base interactions energy: -14.425 where: short stacking energy: -14.425 Base-Backbone interact. energy: -0.044 local terms energy: -28.528131 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -2.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -78.506022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.506022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.506022 (E_RNA) where: Base-Base interactions energy: -42.601 where: short stacking energy: -23.957 Base-Backbone interact. energy: -0.004 local terms energy: -35.901885 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -6.788 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: 10 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -70.278936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.278936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.278936 (E_RNA) where: Base-Base interactions energy: -39.603 where: short stacking energy: -16.596 Base-Backbone interact. energy: -0.507 local terms energy: -30.168761 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -1.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -60.126212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.126212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.126212 (E_RNA) where: Base-Base interactions energy: -26.410 where: short stacking energy: -18.950 Base-Backbone interact. energy: -0.343 local terms energy: -33.373100 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.401 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -57.963287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.963287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.963287 (E_RNA) where: Base-Base interactions energy: -24.562 where: short stacking energy: -19.821 Base-Backbone interact. energy: 0.686 local terms energy: -34.087595 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.651 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -5.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -54.635381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.635381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.635381 (E_RNA) where: Base-Base interactions energy: -22.796 where: short stacking energy: -22.796 Base-Backbone interact. energy: -0.000 local terms energy: -31.838958 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -6.550 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: 6, replica: 3 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -48.877804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.877804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.877804 (E_RNA) where: Base-Base interactions energy: -20.055 where: short stacking energy: -19.789 Base-Backbone interact. energy: -0.013 local terms energy: -28.810718 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -52.723938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.723938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.723938 (E_RNA) where: Base-Base interactions energy: -19.880 where: short stacking energy: -19.880 Base-Backbone interact. energy: -0.009 local terms energy: -32.835097 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -2.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -49.991321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.991321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.991321 (E_RNA) where: Base-Base interactions energy: -21.648 where: short stacking energy: -16.816 Base-Backbone interact. energy: -0.010 local terms energy: -28.333999 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -1.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -44.896283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.896283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.896283 (E_RNA) where: Base-Base interactions energy: -16.999 where: short stacking energy: -16.999 Base-Backbone interact. energy: -0.010 local terms energy: -27.887576 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.266 flat angles P-C4'-P energy: -5.368 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -39.345430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.345430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.345430 (E_RNA) where: Base-Base interactions energy: -20.012 where: short stacking energy: -20.012 Base-Backbone interact. energy: -0.010 local terms energy: -19.323859 where: bonds (distance) C4'-P energy: -1.838 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.238 flat angles P-C4'-P energy: -1.987 tors. eta vs tors. theta energy: -3.589 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: 9 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -73.005773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.005773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.005773 (E_RNA) where: Base-Base interactions energy: -37.073 where: short stacking energy: -27.715 Base-Backbone interact. energy: -0.008 local terms energy: -35.924689 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -7.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -72.259969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.259969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.259969 (E_RNA) where: Base-Base interactions energy: -35.728 where: short stacking energy: -22.048 Base-Backbone interact. energy: -0.731 local terms energy: -35.800607 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -62.800121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.800121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.800121 (E_RNA) where: Base-Base interactions energy: -26.154 where: short stacking energy: -26.154 Base-Backbone interact. energy: -0.000 local terms energy: -36.645619 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -5.558 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: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -49.010717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.010717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.010717 (E_RNA) where: Base-Base interactions energy: -16.995 where: short stacking energy: -14.205 Base-Backbone interact. energy: -0.000 local terms energy: -32.014876 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.365 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -49.114492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.114492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.114492 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.211 local terms energy: -33.549368 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -5.547 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: 2 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -69.702738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.702738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.702738 (E_RNA) where: Base-Base interactions energy: -37.770 where: short stacking energy: -23.855 Base-Backbone interact. energy: -0.000 local terms energy: -31.932875 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -9.184 flat angles P-C4'-P energy: -2.412 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -51.139093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.139093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.139093 (E_RNA) where: Base-Base interactions energy: -21.295 where: short stacking energy: -21.295 Base-Backbone interact. energy: -0.049 local terms energy: -29.794647 where: bonds (distance) C4'-P energy: -4.116 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.885 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -7.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -44.716198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.716198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.716198 (E_RNA) where: Base-Base interactions energy: -17.200 where: short stacking energy: -12.928 Base-Backbone interact. energy: -0.048 local terms energy: -27.468175 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.274 flat angles P-C4'-P energy: -5.810 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: 9, replica: 5 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -45.003088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.003088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.003088 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -13.600 Base-Backbone interact. energy: -0.000 local terms energy: -31.402328 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.709 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -44.837580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.837580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.837580 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.085 local terms energy: -24.503373 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -4.942 flat angles C4'-P-C4' energy: -4.988 flat angles P-C4'-P energy: -3.278 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: 1, replica: 9 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -76.723001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.723001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.723001 (E_RNA) where: Base-Base interactions energy: -41.480 where: short stacking energy: -30.623 Base-Backbone interact. energy: -0.001 local terms energy: -35.242263 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -8.922 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -63.697981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.697981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.697981 (E_RNA) where: Base-Base interactions energy: -27.802 where: short stacking energy: -27.802 Base-Backbone interact. energy: -0.001 local terms energy: -35.894696 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -5.714 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -56.457140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.457140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.457140 (E_RNA) where: Base-Base interactions energy: -30.632 where: short stacking energy: -15.305 Base-Backbone interact. energy: -0.747 local terms energy: -25.078088 where: bonds (distance) C4'-P energy: -5.336 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: 1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -49.837443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.837443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.837443 (E_RNA) where: Base-Base interactions energy: -21.891 where: short stacking energy: -21.840 Base-Backbone interact. energy: -0.104 local terms energy: -27.842929 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -4.035 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: 5, replica: 2 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -54.448854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448854 (E_RNA) where: Base-Base interactions energy: -18.683 where: short stacking energy: -18.683 Base-Backbone interact. energy: -0.000 local terms energy: -35.766047 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -5.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -47.727356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.727356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.727356 (E_RNA) where: Base-Base interactions energy: -18.898 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.001 local terms energy: -28.828421 where: bonds (distance) C4'-P energy: -3.762 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -3.202 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: 7, replica: 3 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -43.193227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.193227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.193227 (E_RNA) where: Base-Base interactions energy: -17.075 where: short stacking energy: -17.075 Base-Backbone interact. energy: -0.000 local terms energy: -26.117992 where: bonds (distance) C4'-P energy: -0.964 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -5.398 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -43.158232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.158232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.158232 (E_RNA) where: Base-Base interactions energy: -15.447 where: short stacking energy: -11.763 Base-Backbone interact. energy: -0.477 local terms energy: -27.234157 where: bonds (distance) C4'-P energy: -4.161 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -4.828 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: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -45.484575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.484575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.484575 (E_RNA) where: Base-Base interactions energy: -19.837 where: short stacking energy: -8.390 Base-Backbone interact. energy: -0.104 local terms energy: -25.544088 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -8.773 flat angles C4'-P-C4' energy: -4.284 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -41.853908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.853908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.853908 (E_RNA) where: Base-Base interactions energy: -11.411 where: short stacking energy: -11.411 Base-Backbone interact. energy: -0.472 local terms energy: -29.971159 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -5.319 tors. eta vs tors. theta energy: -1.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -69.383004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.383004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.383004 (E_RNA) where: Base-Base interactions energy: -35.000 where: short stacking energy: -31.086 Base-Backbone interact. energy: -0.024 local terms energy: -34.359291 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -61.012711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.012711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.012711 (E_RNA) where: Base-Base interactions energy: -27.199 where: short stacking energy: -27.199 Base-Backbone interact. energy: -0.000 local terms energy: -33.813454 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.121 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: 3, replica: 7 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -49.482604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.482604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.482604 (E_RNA) where: Base-Base interactions energy: -19.791 where: short stacking energy: -13.679 Base-Backbone interact. energy: -1.904 local terms energy: -27.787949 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -4.165 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: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -53.412746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.412746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.412746 (E_RNA) where: Base-Base interactions energy: -22.656 where: short stacking energy: -18.557 Base-Backbone interact. energy: -0.135 local terms energy: -30.621963 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -5.349 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -6.084 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: 5, replica: 10 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -52.743957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.743957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.743957 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -17.683 Base-Backbone interact. energy: -0.000 local terms energy: -35.060719 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -50.276164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.276164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.276164 (E_RNA) where: Base-Base interactions energy: -21.575 where: short stacking energy: -21.575 Base-Backbone interact. energy: -0.084 local terms energy: -28.616711 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -3.175 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -6.395 tors. eta vs tors. theta energy: -5.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -61.510759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.510759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.510759 (E_RNA) where: Base-Base interactions energy: -27.010 where: short stacking energy: -25.970 Base-Backbone interact. energy: -0.000 local terms energy: -34.500867 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.478 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -9.458 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: 4 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -53.380727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.380727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.380727 (E_RNA) where: Base-Base interactions energy: -19.669 where: short stacking energy: -19.669 Base-Backbone interact. energy: -0.000 local terms energy: -33.711465 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -2.220 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -40.202152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.202152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.202152 (E_RNA) where: Base-Base interactions energy: -19.912 where: short stacking energy: -19.912 Base-Backbone interact. energy: -0.004 local terms energy: -20.285897 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -2.980 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: 0.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -41.817548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.817548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.817548 (E_RNA) where: Base-Base interactions energy: -19.310 where: short stacking energy: -13.882 Base-Backbone interact. energy: 0.077 local terms energy: -22.584589 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: 0.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -53.730484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.730484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.730484 (E_RNA) where: Base-Base interactions energy: -18.168 where: short stacking energy: -17.342 Base-Backbone interact. energy: -0.883 local terms energy: -34.679296 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -4.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -71.736349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.736349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.736349 (E_RNA) where: Base-Base interactions energy: -35.850 where: short stacking energy: -22.354 Base-Backbone interact. energy: -0.001 local terms energy: -35.885602 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.817 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -56.226842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.226842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.226842 (E_RNA) where: Base-Base interactions energy: -20.076 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.044 local terms energy: -36.107457 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -4.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -56.806415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.806415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.806415 (E_RNA) where: Base-Base interactions energy: -29.103 where: short stacking energy: -20.881 Base-Backbone interact. energy: -0.009 local terms energy: -27.694480 where: bonds (distance) C4'-P energy: -4.695 bonds (distance) P-C4' energy: -7.855 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -3.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -54.238539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.238539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.238539 (E_RNA) where: Base-Base interactions energy: -19.216 where: short stacking energy: -19.216 Base-Backbone interact. energy: -0.000 local terms energy: -35.023026 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.803 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: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -64.554819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.554819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.554819 (E_RNA) where: Base-Base interactions energy: -25.564 where: short stacking energy: -25.564 Base-Backbone interact. energy: -0.016 local terms energy: -38.974920 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -7.930 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: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -44.680641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.680641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.680641 (E_RNA) where: Base-Base interactions energy: -14.880 where: short stacking energy: -6.482 Base-Backbone interact. energy: -0.007 local terms energy: -29.794540 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.746 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -1.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -51.416849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.416849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.416849 (E_RNA) where: Base-Base interactions energy: -22.313 where: short stacking energy: -20.012 Base-Backbone interact. energy: 0.071 local terms energy: -29.174646 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.701 flat angles P-C4'-P energy: -4.019 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: 9, replica: 5 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -48.498504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.498504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.498504 (E_RNA) where: Base-Base interactions energy: -19.731 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.087 local terms energy: -28.680679 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -0.781 tors. eta vs tors. theta energy: -3.731 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: 10, replica: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -47.470437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.470437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.470437 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -14.860 Base-Backbone interact. energy: -0.004 local terms energy: -24.607374 where: bonds (distance) C4'-P energy: -5.141 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -4.327 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: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -65.546719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.546719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.546719 (E_RNA) where: Base-Base interactions energy: -28.583 where: short stacking energy: -27.624 Base-Backbone interact. energy: -0.038 local terms energy: -36.925709 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -7.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -76.621377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.621377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.621377 (E_RNA) where: Base-Base interactions energy: -37.989 where: short stacking energy: -28.652 Base-Backbone interact. energy: -1.162 local terms energy: -37.470590 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -6.428 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: 3, replica: 2 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -65.612454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.612454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.612454 (E_RNA) where: Base-Base interactions energy: -33.795 where: short stacking energy: -25.807 Base-Backbone interact. energy: -0.000 local terms energy: -31.816988 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -4.972 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: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -62.657198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.657198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.657198 (E_RNA) where: Base-Base interactions energy: -25.707 where: short stacking energy: -25.707 Base-Backbone interact. energy: -0.001 local terms energy: -36.949647 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -3.975 tors. eta vs tors. theta energy: -9.189 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: 7 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -49.744880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.744880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.744880 (E_RNA) where: Base-Base interactions energy: -19.746 where: short stacking energy: -19.746 Base-Backbone interact. energy: -0.117 local terms energy: -29.881020 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -0.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -55.706525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.706525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.706525 (E_RNA) where: Base-Base interactions energy: -24.528 where: short stacking energy: -24.528 Base-Backbone interact. energy: -0.084 local terms energy: -31.094618 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -5.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -50.571394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.571394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.571394 (E_RNA) where: Base-Base interactions energy: -23.620 where: short stacking energy: -23.620 Base-Backbone interact. energy: -0.040 local terms energy: -26.911441 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.764 flat angles P-C4'-P energy: -2.859 tors. eta vs tors. theta energy: -4.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -40.876951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.876951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.876951 (E_RNA) where: Base-Base interactions energy: -20.252 where: short stacking energy: -10.123 Base-Backbone interact. energy: -0.124 local terms energy: -20.500875 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -3.154 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -4.743 tors. eta vs tors. theta energy: 0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -38.532143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.532143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.532143 (E_RNA) where: Base-Base interactions energy: -12.650 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.021 local terms energy: -25.861356 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -3.533 tors. eta vs tors. theta energy: -0.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -37.072322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.072322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.072322 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.122 local terms energy: -25.811766 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -0.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -85.745702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.745702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.745702 (E_RNA) where: Base-Base interactions energy: -48.648 where: short stacking energy: -26.966 Base-Backbone interact. energy: -0.001 local terms energy: -37.096233 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.731 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -6.090 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: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -65.464927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.464927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.464927 (E_RNA) where: Base-Base interactions energy: -27.280 where: short stacking energy: -27.280 Base-Backbone interact. energy: -0.000 local terms energy: -38.185291 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: -4.467 tors. eta vs tors. theta energy: -9.685 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: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -56.289659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.289659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.289659 (E_RNA) where: Base-Base interactions energy: -24.170 where: short stacking energy: -14.362 Base-Backbone interact. energy: -0.254 local terms energy: -31.865873 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -6.787 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: 4, replica: 2 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -58.201997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.201997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.201997 (E_RNA) where: Base-Base interactions energy: -21.962 where: short stacking energy: -21.962 Base-Backbone interact. energy: -0.147 local terms energy: -36.093303 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -55.427278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.427278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.427278 (E_RNA) where: Base-Base interactions energy: -24.009 where: short stacking energy: -24.009 Base-Backbone interact. energy: -0.002 local terms energy: -31.415798 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.528 flat angles C4'-P-C4' energy: -3.775 flat angles P-C4'-P energy: -5.384 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -56.054689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.054689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.054689 (E_RNA) where: Base-Base interactions energy: -22.923 where: short stacking energy: -13.088 Base-Backbone interact. energy: -0.010 local terms energy: -33.122045 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -7.079 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -43.525160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.525160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.525160 (E_RNA) where: Base-Base interactions energy: -16.178 where: short stacking energy: -16.178 Base-Backbone interact. energy: -0.001 local terms energy: -27.346064 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -5.301 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -3.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -43.745327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.745327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.745327 (E_RNA) where: Base-Base interactions energy: -15.040 where: short stacking energy: -13.506 Base-Backbone interact. energy: -0.195 local terms energy: -28.510215 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -0.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -42.949060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.949060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.949060 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.152 local terms energy: -26.717080 where: bonds (distance) C4'-P energy: -4.637 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -3.585 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: 8 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -39.081189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.081189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.081189 (E_RNA) where: Base-Base interactions energy: -9.640 where: short stacking energy: -7.096 Base-Backbone interact. energy: -0.129 local terms energy: -29.312412 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -84.628413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.628413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.628413 (E_RNA) where: Base-Base interactions energy: -47.107 where: short stacking energy: -24.740 Base-Backbone interact. energy: -0.001 local terms energy: -37.520779 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -6.446 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: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -71.635711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.635711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.635711 (E_RNA) where: Base-Base interactions energy: -32.304 where: short stacking energy: -32.304 Base-Backbone interact. energy: -0.000 local terms energy: -39.331555 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -59.172750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.172750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.172750 (E_RNA) where: Base-Base interactions energy: -24.898 where: short stacking energy: -20.519 Base-Backbone interact. energy: -0.129 local terms energy: -34.146022 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -5.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -52.382151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.382151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.382151 (E_RNA) where: Base-Base interactions energy: -23.780 where: short stacking energy: -18.108 Base-Backbone interact. energy: -0.000 local terms energy: -28.601580 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -2.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -53.133028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.133028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.133028 (E_RNA) where: Base-Base interactions energy: -24.429 where: short stacking energy: -11.062 Base-Backbone interact. energy: -0.034 local terms energy: -28.669971 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -4.157 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: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -43.805440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.805440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.805440 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -14.305 Base-Backbone interact. energy: -0.016 local terms energy: -29.484519 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -6.412 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: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -48.624790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.624790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.624790 (E_RNA) where: Base-Base interactions energy: -19.134 where: short stacking energy: -18.439 Base-Backbone interact. energy: -0.000 local terms energy: -29.490401 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -4.778 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: 8, replica: 1 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -46.816916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.816916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.816916 (E_RNA) where: Base-Base interactions energy: -11.753 where: short stacking energy: -11.753 Base-Backbone interact. energy: -0.099 local terms energy: -34.964301 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -6.377 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: 9, replica: 5 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -44.642398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.642398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.642398 (E_RNA) where: Base-Base interactions energy: -11.604 where: short stacking energy: -11.604 Base-Backbone interact. energy: -0.002 local terms energy: -33.036666 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.772 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -3.977 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: 8 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -38.607982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.607982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.607982 (E_RNA) where: Base-Base interactions energy: -12.708 where: short stacking energy: -11.552 Base-Backbone interact. energy: -0.064 local terms energy: -25.835966 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.087 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -0.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -77.818058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.818058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.818058 (E_RNA) where: Base-Base interactions energy: -39.656 where: short stacking energy: -29.039 Base-Backbone interact. energy: -1.676 local terms energy: -36.486526 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -6.979 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: 2, replica: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -60.730538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.730538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.730538 (E_RNA) where: Base-Base interactions energy: -24.227 where: short stacking energy: -24.227 Base-Backbone interact. energy: -0.002 local terms energy: -36.501371 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -6.155 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: 3, replica: 4 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -61.246296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.246296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.246296 (E_RNA) where: Base-Base interactions energy: -24.507 where: short stacking energy: -24.507 Base-Backbone interact. energy: -0.000 local terms energy: -36.739569 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -8.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -64.353403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.353403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.353403 (E_RNA) where: Base-Base interactions energy: -29.567 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.001 local terms energy: -34.786258 where: bonds (distance) C4'-P energy: -4.669 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -8.624 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: 5, replica: 2 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -57.450089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.450089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.450089 (E_RNA) where: Base-Base interactions energy: -23.601 where: short stacking energy: -23.080 Base-Backbone interact. energy: -0.535 local terms energy: -33.314068 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.427 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: 6, replica: 3 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -50.659601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.659601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.659601 (E_RNA) where: Base-Base interactions energy: -22.161 where: short stacking energy: -22.161 Base-Backbone interact. energy: -0.001 local terms energy: -28.497254 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.101 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -3.042 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: 7, replica: 1 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -41.684709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.684709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.684709 (E_RNA) where: Base-Base interactions energy: -12.938 where: short stacking energy: -12.938 Base-Backbone interact. energy: -0.033 local terms energy: -28.714356 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -40.978978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.978978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.978978 (E_RNA) where: Base-Base interactions energy: -15.753 where: short stacking energy: -11.889 Base-Backbone interact. energy: -0.043 local terms energy: -25.182786 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.249 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -36.299495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.299495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.299495 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -15.620 Base-Backbone interact. energy: -0.662 local terms energy: -21.267090 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: 0.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -43.173038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.173038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.173038 (E_RNA) where: Base-Base interactions energy: -16.945 where: short stacking energy: -16.945 Base-Backbone interact. energy: -0.002 local terms energy: -26.226170 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -0.370 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: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -81.266091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.266091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.266091 (E_RNA) where: Base-Base interactions energy: -40.967 where: short stacking energy: -27.145 Base-Backbone interact. energy: -0.080 local terms energy: -40.219396 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -6.488 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: 2, replica: 4 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -58.850100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.850100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.850100 (E_RNA) where: Base-Base interactions energy: -25.412 where: short stacking energy: -25.412 Base-Backbone interact. energy: -0.002 local terms energy: -33.435595 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -2.013 tors. eta vs tors. theta energy: -8.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -53.881639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.881639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.881639 (E_RNA) where: Base-Base interactions energy: -26.144 where: short stacking energy: -13.698 Base-Backbone interact. energy: -0.137 local terms energy: -27.599858 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -4.379 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) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -59.663909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.663909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.663909 (E_RNA) where: Base-Base interactions energy: -26.405 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.435 local terms energy: -32.823014 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -4.628 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: 5, replica: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -67.213556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.213556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.213556 (E_RNA) where: Base-Base interactions energy: -29.123 where: short stacking energy: -29.123 Base-Backbone interact. energy: -0.000 local terms energy: -38.090587 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.830 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -8.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -50.913363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913363 (E_RNA) where: Base-Base interactions energy: -20.688 where: short stacking energy: -16.041 Base-Backbone interact. energy: -0.013 local terms energy: -30.212068 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -5.619 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -6.397 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: 3 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -55.928512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.928512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.928512 (E_RNA) where: Base-Base interactions energy: -24.784 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.019 local terms energy: -31.125527 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -6.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -56.248714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.248714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.248714 (E_RNA) where: Base-Base interactions energy: -25.232 where: short stacking energy: -25.232 Base-Backbone interact. energy: -0.000 local terms energy: -31.016640 where: bonds (distance) C4'-P energy: -3.497 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -3.636 tors. eta vs tors. theta energy: -6.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -41.147038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.147038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.147038 (E_RNA) where: Base-Base interactions energy: -19.691 where: short stacking energy: -19.691 Base-Backbone interact. energy: -0.022 local terms energy: -21.434126 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -42.815027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.815027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.815027 (E_RNA) where: Base-Base interactions energy: -15.706 where: short stacking energy: -15.706 Base-Backbone interact. energy: -0.007 local terms energy: -27.102095 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -2.296 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: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -78.001415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.001415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.001415 (E_RNA) where: Base-Base interactions energy: -43.420 where: short stacking energy: -33.381 Base-Backbone interact. energy: -0.002 local terms energy: -34.579380 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -3.239 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: 2, replica: 4 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -59.695403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.695403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.695403 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -25.084 Base-Backbone interact. energy: -0.011 local terms energy: -33.599829 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -67.433414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.433414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.433414 (E_RNA) where: Base-Base interactions energy: -30.346 where: short stacking energy: -24.882 Base-Backbone interact. energy: -0.000 local terms energy: -37.087235 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -52.357549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.357549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.357549 (E_RNA) where: Base-Base interactions energy: -16.659 where: short stacking energy: -16.465 Base-Backbone interact. energy: -0.751 local terms energy: -34.947914 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -6.659 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -54.583741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.583741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.583741 (E_RNA) where: Base-Base interactions energy: -19.885 where: short stacking energy: -18.155 Base-Backbone interact. energy: 0.479 local terms energy: -35.178399 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.423 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: 6, replica: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -44.935383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.935383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.935383 (E_RNA) where: Base-Base interactions energy: -18.396 where: short stacking energy: -17.430 Base-Backbone interact. energy: -0.009 local terms energy: -26.530431 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -43.309491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.309491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.309491 (E_RNA) where: Base-Base interactions energy: -15.354 where: short stacking energy: -15.354 Base-Backbone interact. energy: -0.037 local terms energy: -27.917941 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -1.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -43.496603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.496603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.496603 (E_RNA) where: Base-Base interactions energy: -9.463 where: short stacking energy: -9.463 Base-Backbone interact. energy: -0.000 local terms energy: -34.032903 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -6.247 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: 9, replica: 7 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -42.635095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.635095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.635095 (E_RNA) where: Base-Base interactions energy: -18.237 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.028 local terms energy: -24.369760 where: bonds (distance) C4'-P energy: -5.207 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -48.440641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.440641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.440641 (E_RNA) where: Base-Base interactions energy: -14.753 where: short stacking energy: -14.753 Base-Backbone interact. energy: -0.001 local terms energy: -33.686562 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -6.514 tors. eta vs tors. theta energy: -2.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -81.036247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.036247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.036247 (E_RNA) where: Base-Base interactions energy: -48.570 where: short stacking energy: -23.189 Base-Backbone interact. energy: -0.003 local terms energy: -32.464045 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -5.618 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: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -66.462987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.462987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.462987 (E_RNA) where: Base-Base interactions energy: -32.074 where: short stacking energy: -27.684 Base-Backbone interact. energy: -0.031 local terms energy: -34.358222 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -6.544 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -7.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -59.583668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.583668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.583668 (E_RNA) where: Base-Base interactions energy: -26.712 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.034 local terms energy: -32.837811 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.617 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -2.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -57.791480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.791480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.791480 (E_RNA) where: Base-Base interactions energy: -26.988 where: short stacking energy: -24.283 Base-Backbone interact. energy: -0.000 local terms energy: -30.803175 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -4.310 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: 5, replica: 6 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -56.452494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.452494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.452494 (E_RNA) where: Base-Base interactions energy: -19.686 where: short stacking energy: -19.686 Base-Backbone interact. energy: -0.033 local terms energy: -36.733179 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -5.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -49.343667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.343667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.343667 (E_RNA) where: Base-Base interactions energy: -20.244 where: short stacking energy: -13.635 Base-Backbone interact. energy: -0.000 local terms energy: -29.099738 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -50.033801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.033801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.033801 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -17.350 Base-Backbone interact. energy: -0.000 local terms energy: -32.683653 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -6.731 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: 8, replica: 7 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -43.241620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.241620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.241620 (E_RNA) where: Base-Base interactions energy: -17.773 where: short stacking energy: -17.773 Base-Backbone interact. energy: -0.000 local terms energy: -25.469006 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -4.644 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: 9, replica: 3 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -49.310683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.310683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.310683 (E_RNA) where: Base-Base interactions energy: -21.280 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.000 local terms energy: -28.030544 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -4.339 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: 10, replica: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -49.779182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.779182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.779182 (E_RNA) where: Base-Base interactions energy: -19.372 where: short stacking energy: -19.095 Base-Backbone interact. energy: -0.046 local terms energy: -30.360517 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -4.694 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -82.784831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.784831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.784831 (E_RNA) where: Base-Base interactions energy: -47.567 where: short stacking energy: -23.010 Base-Backbone interact. energy: -0.406 local terms energy: -34.811559 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -67.460650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.460650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.460650 (E_RNA) where: Base-Base interactions energy: -34.576 where: short stacking energy: -19.407 Base-Backbone interact. energy: -0.021 local terms energy: -32.863458 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -5.077 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: 3, replica: 1 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -55.231514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.231514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.231514 (E_RNA) where: Base-Base interactions energy: -22.737 where: short stacking energy: -22.737 Base-Backbone interact. energy: -0.129 local terms energy: -32.365360 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -3.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -44.648228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.648228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.648228 (E_RNA) where: Base-Base interactions energy: -14.486 where: short stacking energy: -15.286 Base-Backbone interact. energy: -0.107 local terms energy: -30.055324 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -3.680 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: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -49.342891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.342891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.342891 (E_RNA) where: Base-Base interactions energy: -23.278 where: short stacking energy: -23.278 Base-Backbone interact. energy: 0.385 local terms energy: -26.449985 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -0.649 tors. eta vs tors. theta energy: -7.072 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: 6 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -49.891149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.891149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.891149 (E_RNA) where: Base-Base interactions energy: -18.579 where: short stacking energy: -18.579 Base-Backbone interact. energy: -0.045 local terms energy: -31.266738 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -4.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -48.207775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.207775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.207775 (E_RNA) where: Base-Base interactions energy: -20.943 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.296 local terms energy: -26.968362 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -43.889991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.889991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.889991 (E_RNA) where: Base-Base interactions energy: -12.531 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.016 local terms energy: -31.342690 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -6.459 tors. eta vs tors. theta energy: -2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -47.398968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.398968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.398968 (E_RNA) where: Base-Base interactions energy: -21.479 where: short stacking energy: -10.867 Base-Backbone interact. energy: -0.017 local terms energy: -25.903016 where: bonds (distance) C4'-P energy: -2.790 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.266 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -51.171201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.171201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.171201 (E_RNA) where: Base-Base interactions energy: -23.433 where: short stacking energy: -17.733 Base-Backbone interact. energy: -0.005 local terms energy: -27.733016 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -4.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -74.869425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.869425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.869425 (E_RNA) where: Base-Base interactions energy: -39.119 where: short stacking energy: -24.911 Base-Backbone interact. energy: -2.632 local terms energy: -33.118917 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -7.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -66.393051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.393051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.393051 (E_RNA) where: Base-Base interactions energy: -28.775 where: short stacking energy: -28.775 Base-Backbone interact. energy: -0.002 local terms energy: -37.616303 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.405 flat angles P-C4'-P energy: -5.386 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: 3, replica: 2 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -60.300252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.300252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.300252 (E_RNA) where: Base-Base interactions energy: -27.581 where: short stacking energy: -26.494 Base-Backbone interact. energy: -0.000 local terms energy: -32.718868 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -54.271010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.271010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.271010 (E_RNA) where: Base-Base interactions energy: -20.130 where: short stacking energy: -20.130 Base-Backbone interact. energy: 2.239 local terms energy: -36.380112 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -5.370 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: 5, replica: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -49.608834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.608834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.608834 (E_RNA) where: Base-Base interactions energy: -15.204 where: short stacking energy: -13.512 Base-Backbone interact. energy: 0.408 local terms energy: -34.812411 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -6.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -45.867141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.867141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.867141 (E_RNA) where: Base-Base interactions energy: -15.584 where: short stacking energy: -15.003 Base-Backbone interact. energy: -0.125 local terms energy: -30.158183 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -1.225 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: 7, replica: 6 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -52.354105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.354105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.354105 (E_RNA) where: Base-Base interactions energy: -19.318 where: short stacking energy: -13.063 Base-Backbone interact. energy: -0.062 local terms energy: -32.973986 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -45.571224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571224 (E_RNA) where: Base-Base interactions energy: -24.449 where: short stacking energy: -18.341 Base-Backbone interact. energy: -0.003 local terms energy: -21.119332 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -3.659 flat angles P-C4'-P energy: -3.233 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: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -42.028776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.028776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.028776 (E_RNA) where: Base-Base interactions energy: -19.551 where: short stacking energy: -16.442 Base-Backbone interact. energy: -0.007 local terms energy: -22.471402 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -3.223 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: 10, replica: 3 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -44.416508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.416508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.416508 (E_RNA) where: Base-Base interactions energy: -20.303 where: short stacking energy: -20.303 Base-Backbone interact. energy: -0.002 local terms energy: -24.111059 where: bonds (distance) C4'-P energy: -4.960 bonds (distance) P-C4' energy: -2.419 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -4.305 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: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -72.028208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.028208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.028208 (E_RNA) where: Base-Base interactions energy: -35.880 where: short stacking energy: -19.799 Base-Backbone interact. energy: -0.012 local terms energy: -36.136083 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -4.061 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: 2, replica: 1 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -64.300910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.300910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.300910 (E_RNA) where: Base-Base interactions energy: -24.695 where: short stacking energy: -24.695 Base-Backbone interact. energy: -0.000 local terms energy: -39.605780 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -8.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -59.930610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.930610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.930610 (E_RNA) where: Base-Base interactions energy: -27.637 where: short stacking energy: -27.637 Base-Backbone interact. energy: -0.000 local terms energy: -32.293863 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.990 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: 4, replica: 2 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -61.234171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.234171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.234171 (E_RNA) where: Base-Base interactions energy: -24.911 where: short stacking energy: -23.433 Base-Backbone interact. energy: -0.004 local terms energy: -36.319524 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -6.935 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -55.672529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.672529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.672529 (E_RNA) where: Base-Base interactions energy: -26.714 where: short stacking energy: -26.714 Base-Backbone interact. energy: -0.000 local terms energy: -28.958078 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -47.416405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.416405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.416405 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.017 local terms energy: -27.791641 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -3.121 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -50.486903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.486903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.486903 (E_RNA) where: Base-Base interactions energy: -18.988 where: short stacking energy: -18.988 Base-Backbone interact. energy: -0.001 local terms energy: -31.498007 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -5.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -48.876159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.876159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.876159 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.140 local terms energy: -26.116255 where: bonds (distance) C4'-P energy: -0.935 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -5.057 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: 9, replica: 10 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -47.304282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.304282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.304282 (E_RNA) where: Base-Base interactions energy: -17.738 where: short stacking energy: -17.738 Base-Backbone interact. energy: -0.021 local terms energy: -29.545436 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -2.041 tors. eta vs tors. theta energy: -6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -43.794075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.794075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.794075 (E_RNA) where: Base-Base interactions energy: -13.670 where: short stacking energy: -13.670 Base-Backbone interact. energy: -0.003 local terms energy: -30.121719 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.207 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -4.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -63.886720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.886720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.886720 (E_RNA) where: Base-Base interactions energy: -31.324 where: short stacking energy: -21.234 Base-Backbone interact. energy: 0.260 local terms energy: -32.822187 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -5.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -61.340880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.340880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.340880 (E_RNA) where: Base-Base interactions energy: -25.616 where: short stacking energy: -25.616 Base-Backbone interact. energy: -0.000 local terms energy: -35.724536 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -8.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -59.164312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.164312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.164312 (E_RNA) where: Base-Base interactions energy: -25.132 where: short stacking energy: -25.132 Base-Backbone interact. energy: -0.001 local terms energy: -34.031625 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -6.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -58.076772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.076772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.076772 (E_RNA) where: Base-Base interactions energy: -26.958 where: short stacking energy: -26.958 Base-Backbone interact. energy: -0.061 local terms energy: -31.057841 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.833 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -8.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -47.663025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663025 (E_RNA) where: Base-Base interactions energy: -19.091 where: short stacking energy: -19.091 Base-Backbone interact. energy: -0.000 local terms energy: -28.572072 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -5.629 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -49.753877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.753877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.753877 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.000 local terms energy: -32.771472 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.908 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: 7, replica: 7 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -46.892875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.892875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.892875 (E_RNA) where: Base-Base interactions energy: -19.931 where: short stacking energy: -18.246 Base-Backbone interact. energy: -0.505 local terms energy: -26.457324 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -5.079 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -42.921276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.921276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.921276 (E_RNA) where: Base-Base interactions energy: -10.704 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.000 local terms energy: -32.216638 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -7.028 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: 6 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -41.260616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.260616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.260616 (E_RNA) where: Base-Base interactions energy: -17.137 where: short stacking energy: -17.137 Base-Backbone interact. energy: -0.031 local terms energy: -24.092556 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -4.559 flat angles C4'-P-C4' energy: -2.701 flat angles P-C4'-P energy: -7.406 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -41.075177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.075177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.075177 (E_RNA) where: Base-Base interactions energy: -15.523 where: short stacking energy: -13.449 Base-Backbone interact. energy: -0.000 local terms energy: -25.552207 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -4.860 flat angles P-C4'-P energy: -2.804 tors. eta vs tors. theta energy: -1.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -69.619716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.619716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.619716 (E_RNA) where: Base-Base interactions energy: -29.133 where: short stacking energy: -29.133 Base-Backbone interact. energy: -0.001 local terms energy: -40.485562 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -7.742 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: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -56.391508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.391508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.391508 (E_RNA) where: Base-Base interactions energy: -23.736 where: short stacking energy: -23.736 Base-Backbone interact. energy: -0.010 local terms energy: -32.645975 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -9.064 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -5.659 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: 4 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -60.874235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.874235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.874235 (E_RNA) where: Base-Base interactions energy: -24.601 where: short stacking energy: -24.599 Base-Backbone interact. energy: -0.000 local terms energy: -36.273413 where: bonds (distance) C4'-P energy: -6.167 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -4.839 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: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -57.785624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.785624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.785624 (E_RNA) where: Base-Base interactions energy: -24.620 where: short stacking energy: -24.620 Base-Backbone interact. energy: -0.004 local terms energy: -33.161095 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.966 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: 5 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -48.775251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.775251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.775251 (E_RNA) where: Base-Base interactions energy: -17.267 where: short stacking energy: -17.267 Base-Backbone interact. energy: -0.030 local terms energy: -31.478023 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: -2.812 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: 2 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -60.523025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.523025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.523025 (E_RNA) where: Base-Base interactions energy: -28.607 where: short stacking energy: -21.747 Base-Backbone interact. energy: -0.000 local terms energy: -31.916268 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -4.263 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: 7, replica: 10 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -56.470056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.470056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.470056 (E_RNA) where: Base-Base interactions energy: -28.798 where: short stacking energy: -23.469 Base-Backbone interact. energy: -0.070 local terms energy: -27.602034 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -4.171 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -4.963 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: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -39.378839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.378839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.378839 (E_RNA) where: Base-Base interactions energy: -13.922 where: short stacking energy: -8.692 Base-Backbone interact. energy: -0.543 local terms energy: -24.913555 where: bonds (distance) C4'-P energy: -4.934 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -50.350090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.350090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.350090 (E_RNA) where: Base-Base interactions energy: -26.678 where: short stacking energy: -20.231 Base-Backbone interact. energy: -0.082 local terms energy: -23.590157 where: bonds (distance) C4'-P energy: -5.517 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -4.248 flat angles P-C4'-P energy: -5.367 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: 10, replica: 6 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -42.709690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.709690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.709690 (E_RNA) where: Base-Base interactions energy: -12.360 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.023 local terms energy: -30.326496 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -5.131 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -69.724427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.724427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.724427 (E_RNA) where: Base-Base interactions energy: -32.687 where: short stacking energy: -23.620 Base-Backbone interact. energy: -0.398 local terms energy: -36.638998 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -8.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -62.084505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.084505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.084505 (E_RNA) where: Base-Base interactions energy: -30.676 where: short stacking energy: -26.026 Base-Backbone interact. energy: 0.204 local terms energy: -31.612677 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -2.588 flat angles P-C4'-P energy: -5.860 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: 3, replica: 9 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -59.695317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.695317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.695317 (E_RNA) where: Base-Base interactions energy: -25.291 where: short stacking energy: -25.291 Base-Backbone interact. energy: -0.078 local terms energy: -34.326401 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -6.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -59.906807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.906807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.906807 (E_RNA) where: Base-Base interactions energy: -27.873 where: short stacking energy: -25.169 Base-Backbone interact. energy: -0.000 local terms energy: -32.033646 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -6.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -49.803819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.803819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.803819 (E_RNA) where: Base-Base interactions energy: -20.995 where: short stacking energy: -19.027 Base-Backbone interact. energy: -0.018 local terms energy: -28.791234 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -4.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -47.768402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.768402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.768402 (E_RNA) where: Base-Base interactions energy: -19.117 where: short stacking energy: -18.927 Base-Backbone interact. energy: -0.802 local terms energy: -27.849263 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.706 flat angles P-C4'-P energy: -6.807 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: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -46.079859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.079859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.079859 (E_RNA) where: Base-Base interactions energy: -15.845 where: short stacking energy: -15.845 Base-Backbone interact. energy: -0.125 local terms energy: -30.109904 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -47.549267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.549267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.549267 (E_RNA) where: Base-Base interactions energy: -15.518 where: short stacking energy: -15.518 Base-Backbone interact. energy: -0.105 local terms energy: -31.925730 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -40.041581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.041581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.041581 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -11.478 Base-Backbone interact. energy: -0.557 local terms energy: -26.490398 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -3.148 tors. eta vs tors. theta energy: -0.611 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: 6 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -42.231363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.231363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.231363 (E_RNA) where: Base-Base interactions energy: -12.579 where: short stacking energy: -11.772 Base-Backbone interact. energy: -0.096 local terms energy: -29.556495 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -2.705 tors. eta vs tors. theta energy: -0.908 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: 1, replica: 4 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -68.422710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.422710 (E_RNA) where: Base-Base interactions energy: -29.958 where: short stacking energy: -28.652 Base-Backbone interact. energy: -0.000 local terms energy: -38.464754 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.478 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -9.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -59.124805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.124805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.124805 (E_RNA) where: Base-Base interactions energy: -27.745 where: short stacking energy: -15.533 Base-Backbone interact. energy: -0.000 local terms energy: -31.379371 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -58.678195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.678195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.678195 (E_RNA) where: Base-Base interactions energy: -27.693 where: short stacking energy: -20.677 Base-Backbone interact. energy: -0.022 local terms energy: -30.962554 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -50.366368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.366368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.366368 (E_RNA) where: Base-Base interactions energy: -23.128 where: short stacking energy: -8.980 Base-Backbone interact. energy: -0.164 local terms energy: -27.074133 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -0.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -56.551042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.551042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.551042 (E_RNA) where: Base-Base interactions energy: -26.596 where: short stacking energy: -16.446 Base-Backbone interact. energy: -0.377 local terms energy: -29.577370 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -2.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -45.053559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.053559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.053559 (E_RNA) where: Base-Base interactions energy: -15.757 where: short stacking energy: -10.398 Base-Backbone interact. energy: -0.018 local terms energy: -29.278143 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -47.865249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.865249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.865249 (E_RNA) where: Base-Base interactions energy: -20.492 where: short stacking energy: -20.492 Base-Backbone interact. energy: -0.053 local terms energy: -27.320298 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -3.996 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: -8.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -52.992039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.992039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.992039 (E_RNA) where: Base-Base interactions energy: -22.290 where: short stacking energy: -22.290 Base-Backbone interact. energy: -0.000 local terms energy: -30.702018 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.471 flat angles P-C4'-P energy: -3.975 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: 9, replica: 3 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -47.302148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.302148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.302148 (E_RNA) where: Base-Base interactions energy: -14.989 where: short stacking energy: -14.989 Base-Backbone interact. energy: -0.000 local terms energy: -32.313149 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -4.326 flat angles C4'-P-C4' energy: -8.838 flat angles P-C4'-P energy: -4.210 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: 6 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -49.978413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.978413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.978413 (E_RNA) where: Base-Base interactions energy: -20.365 where: short stacking energy: -20.365 Base-Backbone interact. energy: -0.070 local terms energy: -29.543462 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -4.730 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -6.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -66.127760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.127760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.127760 (E_RNA) where: Base-Base interactions energy: -31.905 where: short stacking energy: -31.905 Base-Backbone interact. energy: -0.070 local terms energy: -34.153419 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -8.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -64.797669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.797669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.797669 (E_RNA) where: Base-Base interactions energy: -34.574 where: short stacking energy: -34.284 Base-Backbone interact. energy: -0.001 local terms energy: -30.223098 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.587 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: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -67.967555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.967555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.967555 (E_RNA) where: Base-Base interactions energy: -35.782 where: short stacking energy: -27.435 Base-Backbone interact. energy: 1.514 local terms energy: -33.700285 where: bonds (distance) C4'-P energy: -6.811 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.788 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -6.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -53.769502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.769502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.769502 (E_RNA) where: Base-Base interactions energy: -26.700 where: short stacking energy: -21.877 Base-Backbone interact. energy: -0.125 local terms energy: -26.944450 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -5.709 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: 5, replica: 9 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -73.000836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.000836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.000836 (E_RNA) where: Base-Base interactions energy: -44.028 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.001 local terms energy: -28.971788 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -3.403 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: 6, replica: 8 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -49.155011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.155011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.155011 (E_RNA) where: Base-Base interactions energy: -19.737 where: short stacking energy: -19.737 Base-Backbone interact. energy: -0.016 local terms energy: -29.401751 where: bonds (distance) C4'-P energy: -5.498 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -5.519 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: 7, replica: 7 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -47.809969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.809969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.809969 (E_RNA) where: Base-Base interactions energy: -17.805 where: short stacking energy: -17.805 Base-Backbone interact. energy: -0.000 local terms energy: -30.004521 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -6.815 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: 8, replica: 3 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -52.430103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.430103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.430103 (E_RNA) where: Base-Base interactions energy: -22.246 where: short stacking energy: -22.246 Base-Backbone interact. energy: -0.002 local terms energy: -30.182757 where: bonds (distance) C4'-P energy: -2.504 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -44.809924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.809924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.809924 (E_RNA) where: Base-Base interactions energy: -11.384 where: short stacking energy: -9.771 Base-Backbone interact. energy: 0.897 local terms energy: -34.323412 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -39.302619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.302619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.302619 (E_RNA) where: Base-Base interactions energy: -13.008 where: short stacking energy: -12.757 Base-Backbone interact. energy: -0.005 local terms energy: -26.289603 where: bonds (distance) C4'-P energy: -6.888 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -2.649 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: 1, replica: 5 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -68.493981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.493981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.493981 (E_RNA) where: Base-Base interactions energy: -33.035 where: short stacking energy: -33.035 Base-Backbone interact. energy: -0.001 local terms energy: -35.458006 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -2.397 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: 4 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -69.294935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.294935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.294935 (E_RNA) where: Base-Base interactions energy: -36.225 where: short stacking energy: -20.238 Base-Backbone interact. energy: -0.059 local terms energy: -33.011074 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.621 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -56.494150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.494150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.494150 (E_RNA) where: Base-Base interactions energy: -27.239 where: short stacking energy: -17.463 Base-Backbone interact. energy: -0.069 local terms energy: -29.185994 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -2.313 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: 4, replica: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -75.754139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.754139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.754139 (E_RNA) where: Base-Base interactions energy: -45.716 where: short stacking energy: -30.090 Base-Backbone interact. energy: 0.353 local terms energy: -30.391636 where: bonds (distance) C4'-P energy: -2.677 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -6.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -47.317029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.317029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.317029 (E_RNA) where: Base-Base interactions energy: -22.207 where: short stacking energy: -16.790 Base-Backbone interact. energy: -0.002 local terms energy: -25.108110 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -6.700 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -50.410426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.410426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.410426 (E_RNA) where: Base-Base interactions energy: -16.389 where: short stacking energy: -16.389 Base-Backbone interact. energy: -0.023 local terms energy: -33.999070 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -5.820 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: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -51.616595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.616595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.616595 (E_RNA) where: Base-Base interactions energy: -21.705 where: short stacking energy: -20.270 Base-Backbone interact. energy: -0.003 local terms energy: -29.909111 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -2.623 tors. eta vs tors. theta energy: -4.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -46.254270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.254270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.254270 (E_RNA) where: Base-Base interactions energy: -19.872 where: short stacking energy: -16.865 Base-Backbone interact. energy: -0.015 local terms energy: -26.367213 where: bonds (distance) C4'-P energy: -3.563 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -45.582447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.582447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.582447 (E_RNA) where: Base-Base interactions energy: -16.917 where: short stacking energy: -16.917 Base-Backbone interact. energy: -0.025 local terms energy: -28.641164 where: bonds (distance) C4'-P energy: -3.440 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -42.744564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.744564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.744564 (E_RNA) where: Base-Base interactions energy: -13.848 where: short stacking energy: -13.848 Base-Backbone interact. energy: -0.012 local terms energy: -28.884479 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.664 flat angles P-C4'-P energy: -2.030 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: 1, replica: 5 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -70.339109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.339109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.339109 (E_RNA) where: Base-Base interactions energy: -32.295 where: short stacking energy: -32.295 Base-Backbone interact. energy: -0.000 local terms energy: -38.043272 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -5.707 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: 2, replica: 2 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -64.756968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.756968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.756968 (E_RNA) where: Base-Base interactions energy: -26.664 where: short stacking energy: -26.664 Base-Backbone interact. energy: -0.000 local terms energy: -38.092999 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -8.732 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: 43 Temperature: 1.000000 Total energy: -57.718872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.718872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.718872 (E_RNA) where: Base-Base interactions energy: -23.107 where: short stacking energy: -23.107 Base-Backbone interact. energy: 0.057 local terms energy: -34.669411 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -6.247 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: 4, replica: 8 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -70.713575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.713575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.713575 (E_RNA) where: Base-Base interactions energy: -41.404 where: short stacking energy: -22.317 Base-Backbone interact. energy: 0.660 local terms energy: -29.969013 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -2.801 tors. eta vs tors. theta energy: -6.625 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: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -52.604803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.604803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.604803 (E_RNA) where: Base-Base interactions energy: -24.396 where: short stacking energy: -18.312 Base-Backbone interact. energy: -0.047 local terms energy: -28.162017 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -4.752 flat angles P-C4'-P energy: -5.509 tors. eta vs tors. theta energy: -2.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -51.698622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.698622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.698622 (E_RNA) where: Base-Base interactions energy: -21.627 where: short stacking energy: -19.987 Base-Backbone interact. energy: -0.006 local terms energy: -30.064958 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -3.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -48.914887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.914887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.914887 (E_RNA) where: Base-Base interactions energy: -23.382 where: short stacking energy: -23.382 Base-Backbone interact. energy: -0.001 local terms energy: -25.532683 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -3.022 tors. eta vs tors. theta energy: -4.419 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: 3 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -45.651989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.651989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.651989 (E_RNA) where: Base-Base interactions energy: -20.667 where: short stacking energy: -13.869 Base-Backbone interact. energy: -0.001 local terms energy: -24.984323 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -6.176 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -1.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -37.900554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.900554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.900554 (E_RNA) where: Base-Base interactions energy: -12.518 where: short stacking energy: -12.518 Base-Backbone interact. energy: -0.063 local terms energy: -25.319871 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -3.985 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -2.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -45.575427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.575427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.575427 (E_RNA) where: Base-Base interactions energy: -16.732 where: short stacking energy: -16.732 Base-Backbone interact. energy: 0.278 local terms energy: -29.121373 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -1.717 tors. eta vs tors. theta energy: -2.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -64.218220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.218220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.218220 (E_RNA) where: Base-Base interactions energy: -32.030 where: short stacking energy: -22.667 Base-Backbone interact. energy: -0.008 local terms energy: -32.179819 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -4.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -63.031181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.031181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.031181 (E_RNA) where: Base-Base interactions energy: -29.497 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.007 local terms energy: -33.526581 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.331 flat angles P-C4'-P energy: -4.145 tors. eta vs tors. theta energy: -7.801 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: 44 Temperature: 1.000000 Total energy: -65.252194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.252194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.252194 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -28.470 Base-Backbone interact. energy: -0.001 local terms energy: -35.610968 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -7.169 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: 4, replica: 4 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -53.829778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.829778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.829778 (E_RNA) where: Base-Base interactions energy: -31.325 where: short stacking energy: -21.219 Base-Backbone interact. energy: -0.002 local terms energy: -22.503397 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -3.483 flat angles C4'-P-C4' energy: -2.314 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -53.242987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.242987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.242987 (E_RNA) where: Base-Base interactions energy: -21.662 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.154 local terms energy: -31.426860 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -1.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -52.320872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.320872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.320872 (E_RNA) where: Base-Base interactions energy: -17.787 where: short stacking energy: -17.787 Base-Backbone interact. energy: -0.100 local terms energy: -34.434350 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -5.206 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: 7, replica: 3 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -49.643023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.643023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.643023 (E_RNA) where: Base-Base interactions energy: -22.900 where: short stacking energy: -21.199 Base-Backbone interact. energy: -0.058 local terms energy: -26.685307 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -2.975 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: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -54.855697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.855697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.855697 (E_RNA) where: Base-Base interactions energy: -31.955 where: short stacking energy: -12.271 Base-Backbone interact. energy: -0.075 local terms energy: -22.825229 where: bonds (distance) C4'-P energy: -4.728 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: 0.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -39.444926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.444926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.444926 (E_RNA) where: Base-Base interactions energy: -14.123 where: short stacking energy: -14.123 Base-Backbone interact. energy: -0.038 local terms energy: -25.284625 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.240 flat angles C4'-P-C4' energy: -5.273 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -2.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -44.682063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.682063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.682063 (E_RNA) where: Base-Base interactions energy: -13.788 where: short stacking energy: -13.788 Base-Backbone interact. energy: -0.001 local terms energy: -30.893050 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -4.799 flat angles P-C4'-P energy: -6.595 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: 2 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -67.413611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.413611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.413611 (E_RNA) where: Base-Base interactions energy: -30.316 where: short stacking energy: -23.778 Base-Backbone interact. energy: -0.001 local terms energy: -37.096604 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.485 flat angles P-C4'-P energy: -6.941 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: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -61.259517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.259517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.259517 (E_RNA) where: Base-Base interactions energy: -29.454 where: short stacking energy: -20.775 Base-Backbone interact. energy: 0.089 local terms energy: -31.894660 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.946 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -3.480 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: 5 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -64.602597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.602597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.602597 (E_RNA) where: Base-Base interactions energy: -27.423 where: short stacking energy: -27.423 Base-Backbone interact. energy: -0.000 local terms energy: -37.179002 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -7.914 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: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -66.171111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.171111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.171111 (E_RNA) where: Base-Base interactions energy: -31.259 where: short stacking energy: -17.533 Base-Backbone interact. energy: -0.001 local terms energy: -34.911441 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.828 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.724 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: 5, replica: 7 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -61.735850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.735850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.735850 (E_RNA) where: Base-Base interactions energy: -24.245 where: short stacking energy: -24.245 Base-Backbone interact. energy: -0.000 local terms energy: -37.490459 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.903 flat angles P-C4'-P energy: -4.613 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: 6, replica: 3 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -57.956229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.956229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.956229 (E_RNA) where: Base-Base interactions energy: -25.460 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.475 local terms energy: -32.021182 where: bonds (distance) C4'-P energy: -7.018 bonds (distance) P-C4' energy: -8.868 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.253 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: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -53.232014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.232014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.232014 (E_RNA) where: Base-Base interactions energy: -26.523 where: short stacking energy: -10.152 Base-Backbone interact. energy: -0.015 local terms energy: -26.694132 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -2.556 tors. eta vs tors. theta energy: -2.624 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: 10 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -42.571734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.571734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.571734 (E_RNA) where: Base-Base interactions energy: -15.400 where: short stacking energy: -6.751 Base-Backbone interact. energy: -0.019 local terms energy: -27.153130 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: 1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -50.796121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.796121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.796121 (E_RNA) where: Base-Base interactions energy: -20.020 where: short stacking energy: -20.020 Base-Backbone interact. energy: -0.020 local terms energy: -30.756478 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -4.161 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: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -45.766671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.766671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.766671 (E_RNA) where: Base-Base interactions energy: -18.926 where: short stacking energy: -18.926 Base-Backbone interact. energy: -0.086 local terms energy: -26.754797 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -4.977 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -79.945668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.945668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.945668 (E_RNA) where: Base-Base interactions energy: -45.070 where: short stacking energy: -29.052 Base-Backbone interact. energy: -0.054 local terms energy: -34.821771 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -6.066 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: 2, replica: 2 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -58.323148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.323148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.323148 (E_RNA) where: Base-Base interactions energy: -27.030 where: short stacking energy: -18.015 Base-Backbone interact. energy: -0.033 local terms energy: -31.259617 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -4.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -60.931780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.931780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.931780 (E_RNA) where: Base-Base interactions energy: -29.273 where: short stacking energy: -21.895 Base-Backbone interact. energy: -0.157 local terms energy: -31.501905 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.863 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: 5 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -55.148196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.148196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.148196 (E_RNA) where: Base-Base interactions energy: -22.875 where: short stacking energy: -20.538 Base-Backbone interact. energy: -0.090 local terms energy: -32.183569 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -4.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -60.822631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.822631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.822631 (E_RNA) where: Base-Base interactions energy: -25.670 where: short stacking energy: -23.313 Base-Backbone interact. energy: -2.507 local terms energy: -32.646112 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -6.822 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -5.462 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -50.334333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.334333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.334333 (E_RNA) where: Base-Base interactions energy: -21.893 where: short stacking energy: -21.893 Base-Backbone interact. energy: -0.099 local terms energy: -28.342641 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -5.379 flat angles C4'-P-C4' energy: -7.450 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: -3.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -43.406708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.406708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.406708 (E_RNA) where: Base-Base interactions energy: -14.182 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.001 local terms energy: -29.223795 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -5.246 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: 8, replica: 1 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -46.907464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.907464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.907464 (E_RNA) where: Base-Base interactions energy: -14.208 where: short stacking energy: -14.208 Base-Backbone interact. energy: -0.001 local terms energy: -32.698406 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -4.602 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: 9, replica: 6 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -40.503945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.503945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.503945 (E_RNA) where: Base-Base interactions energy: -11.233 where: short stacking energy: -11.233 Base-Backbone interact. energy: -0.007 local terms energy: -29.264335 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -0.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -45.215576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.215576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.215576 (E_RNA) where: Base-Base interactions energy: -17.886 where: short stacking energy: -17.886 Base-Backbone interact. energy: -0.088 local terms energy: -27.241716 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -6.336 flat angles P-C4'-P energy: -4.888 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: 8 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -85.856953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.856953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.856953 (E_RNA) where: Base-Base interactions energy: -47.676 where: short stacking energy: -23.092 Base-Backbone interact. energy: -0.533 local terms energy: -37.648311 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -68.650095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.650095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.650095 (E_RNA) where: Base-Base interactions energy: -38.582 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.109 local terms energy: -29.958856 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -7.076 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: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -49.488941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.488941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.488941 (E_RNA) where: Base-Base interactions energy: -17.768 where: short stacking energy: -17.768 Base-Backbone interact. energy: -0.000 local terms energy: -31.720679 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -3.058 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: 4, replica: 7 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -56.057152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.057152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.057152 (E_RNA) where: Base-Base interactions energy: -24.348 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.002 local terms energy: -31.707174 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -58.013649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.013649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.013649 (E_RNA) where: Base-Base interactions energy: -23.030 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.592 local terms energy: -34.391798 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.732 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: 6, replica: 3 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -53.956133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.956133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.956133 (E_RNA) where: Base-Base interactions energy: -21.806 where: short stacking energy: -21.806 Base-Backbone interact. energy: -0.010 local terms energy: -32.140337 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -5.292 flat angles P-C4'-P energy: -6.209 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -45.880411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.880411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.880411 (E_RNA) where: Base-Base interactions energy: -19.513 where: short stacking energy: -19.513 Base-Backbone interact. energy: -0.017 local terms energy: -26.350720 where: bonds (distance) C4'-P energy: -4.687 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -4.034 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: 6 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -43.537237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.537237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.537237 (E_RNA) where: Base-Base interactions energy: -12.574 where: short stacking energy: -12.574 Base-Backbone interact. energy: -0.021 local terms energy: -30.941883 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.311 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: 0.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -43.265132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.265132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.265132 (E_RNA) where: Base-Base interactions energy: -16.321 where: short stacking energy: -15.227 Base-Backbone interact. energy: -0.001 local terms energy: -26.943686 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.253 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -2.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -42.558713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.558713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.558713 (E_RNA) where: Base-Base interactions energy: -20.510 where: short stacking energy: -13.509 Base-Backbone interact. energy: -0.317 local terms energy: -21.731133 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -1.123 tors. eta vs tors. theta energy: 1.141 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: 1, replica: 2 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -69.378109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.378109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.378109 (E_RNA) where: Base-Base interactions energy: -32.976 where: short stacking energy: -26.137 Base-Backbone interact. energy: -0.942 local terms energy: -35.459204 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -73.125932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.125932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.125932 (E_RNA) where: Base-Base interactions energy: -39.228 where: short stacking energy: -22.285 Base-Backbone interact. energy: -0.661 local terms energy: -33.237691 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.529 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.474 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: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -56.595221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.595221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.595221 (E_RNA) where: Base-Base interactions energy: -22.596 where: short stacking energy: -22.596 Base-Backbone interact. energy: -0.000 local terms energy: -33.999121 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -5.307 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -55.771850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.771850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.771850 (E_RNA) where: Base-Base interactions energy: -24.894 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.100 local terms energy: -30.777437 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.742 flat angles P-C4'-P energy: -3.160 tors. eta vs tors. theta energy: -8.513 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: 3 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -50.437641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.437641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.437641 (E_RNA) where: Base-Base interactions energy: -18.948 where: short stacking energy: -16.080 Base-Backbone interact. energy: -0.021 local terms energy: -31.467970 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -2.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -51.361785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.361785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.361785 (E_RNA) where: Base-Base interactions energy: -26.576 where: short stacking energy: -13.786 Base-Backbone interact. energy: -0.016 local terms energy: -24.769800 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -2.908 tors. eta vs tors. theta energy: 0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -45.790099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.790099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.790099 (E_RNA) where: Base-Base interactions energy: -17.372 where: short stacking energy: -17.372 Base-Backbone interact. energy: -0.009 local terms energy: -28.409070 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -3.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -47.799753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.799753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.799753 (E_RNA) where: Base-Base interactions energy: -20.408 where: short stacking energy: -20.408 Base-Backbone interact. energy: -0.054 local terms energy: -27.337594 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -2.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -45.821393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.821393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.821393 (E_RNA) where: Base-Base interactions energy: -20.694 where: short stacking energy: -15.443 Base-Backbone interact. energy: -0.035 local terms energy: -25.092189 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: 2.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -43.931290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.931290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.931290 (E_RNA) where: Base-Base interactions energy: -16.634 where: short stacking energy: -16.351 Base-Backbone interact. energy: -0.003 local terms energy: -27.294307 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -5.132 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -76.363828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.363828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.363828 (E_RNA) where: Base-Base interactions energy: -40.652 where: short stacking energy: -27.932 Base-Backbone interact. energy: -0.003 local terms energy: -35.708504 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -69.569273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.569273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.569273 (E_RNA) where: Base-Base interactions energy: -32.577 where: short stacking energy: -28.454 Base-Backbone interact. energy: -0.001 local terms energy: -36.991646 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -4.764 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: 3, replica: 8 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -73.695776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.695776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.695776 (E_RNA) where: Base-Base interactions energy: -38.332 where: short stacking energy: -31.306 Base-Backbone interact. energy: -0.000 local terms energy: -35.363667 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -10.463 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: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -58.930196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.930196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.930196 (E_RNA) where: Base-Base interactions energy: -23.499 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.009 local terms energy: -35.421672 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -4.763 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: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -47.950181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.950181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.950181 (E_RNA) where: Base-Base interactions energy: -15.335 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.012 local terms energy: -32.603069 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -47.912993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.912993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.912993 (E_RNA) where: Base-Base interactions energy: -18.315 where: short stacking energy: -18.315 Base-Backbone interact. energy: -0.008 local terms energy: -29.590393 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -2.591 tors. eta vs tors. theta energy: -4.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -62.407776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.407776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.407776 (E_RNA) where: Base-Base interactions energy: -28.874 where: short stacking energy: -23.706 Base-Backbone interact. energy: -0.000 local terms energy: -33.533440 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -5.826 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: 8, replica: 9 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -44.469508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.469508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.469508 (E_RNA) where: Base-Base interactions energy: -16.730 where: short stacking energy: -10.640 Base-Backbone interact. energy: -0.087 local terms energy: -27.652656 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: 0.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -43.788099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.788099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.788099 (E_RNA) where: Base-Base interactions energy: -12.971 where: short stacking energy: -12.971 Base-Backbone interact. energy: -0.004 local terms energy: -30.812964 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -6.428 tors. eta vs tors. theta energy: -2.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -37.685435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.685435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.685435 (E_RNA) where: Base-Base interactions energy: -11.934 where: short stacking energy: -11.934 Base-Backbone interact. energy: -0.001 local terms energy: -25.751076 where: bonds (distance) C4'-P energy: -4.561 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: 0.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -67.955617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.955617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.955617 (E_RNA) where: Base-Base interactions energy: -28.899 where: short stacking energy: -22.575 Base-Backbone interact. energy: -0.000 local terms energy: -39.056887 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.310 flat angles P-C4'-P energy: -4.087 tors. eta vs tors. theta energy: -8.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -82.464110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.464110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.464110 (E_RNA) where: Base-Base interactions energy: -47.711 where: short stacking energy: -26.676 Base-Backbone interact. energy: 0.214 local terms energy: -34.966461 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -5.643 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: 3, replica: 8 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -69.897525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.897525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.897525 (E_RNA) where: Base-Base interactions energy: -36.044 where: short stacking energy: -22.064 Base-Backbone interact. energy: -0.005 local terms energy: -33.848268 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -4.638 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: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -55.230393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.230393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.230393 (E_RNA) where: Base-Base interactions energy: -25.767 where: short stacking energy: -19.645 Base-Backbone interact. energy: -0.001 local terms energy: -29.462813 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -3.331 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: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -48.478394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.478394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.478394 (E_RNA) where: Base-Base interactions energy: -19.767 where: short stacking energy: -16.864 Base-Backbone interact. energy: -0.088 local terms energy: -28.623047 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.362 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -50.355514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.355514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.355514 (E_RNA) where: Base-Base interactions energy: -23.630 where: short stacking energy: -21.175 Base-Backbone interact. energy: -1.163 local terms energy: -25.562249 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.311 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -3.516 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: 7, replica: 9 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -43.761957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.761957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.761957 (E_RNA) where: Base-Base interactions energy: -16.185 where: short stacking energy: -12.097 Base-Backbone interact. energy: -0.075 local terms energy: -27.501786 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -6.821 flat angles C4'-P-C4' energy: -6.091 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -2.535 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: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -44.711118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.711118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.711118 (E_RNA) where: Base-Base interactions energy: -16.878 where: short stacking energy: -16.878 Base-Backbone interact. energy: -0.019 local terms energy: -27.813942 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -3.565 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: 1 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -49.563019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.563019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.563019 (E_RNA) where: Base-Base interactions energy: -20.361 where: short stacking energy: -20.361 Base-Backbone interact. energy: -0.086 local terms energy: -29.116438 where: bonds (distance) C4'-P energy: -3.961 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.648 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: 10, replica: 10 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -41.964409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.964409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.964409 (E_RNA) where: Base-Base interactions energy: -17.486 where: short stacking energy: -17.486 Base-Backbone interact. energy: -0.059 local terms energy: -24.419983 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: 1.317 tors. eta vs tors. theta energy: -6.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -68.300877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.300877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.300877 (E_RNA) where: Base-Base interactions energy: -31.109 where: short stacking energy: -31.109 Base-Backbone interact. energy: -0.000 local terms energy: -37.191342 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -9.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -75.802043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.802043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.802043 (E_RNA) where: Base-Base interactions energy: -41.511 where: short stacking energy: -23.679 Base-Backbone interact. energy: -0.074 local terms energy: -34.217317 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.829 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: 3, replica: 8 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -49.654788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.654788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.654788 (E_RNA) where: Base-Base interactions energy: -15.371 where: short stacking energy: -15.371 Base-Backbone interact. energy: -0.085 local terms energy: -34.199534 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -2.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -62.506293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.506293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.506293 (E_RNA) where: Base-Base interactions energy: -27.782 where: short stacking energy: -27.782 Base-Backbone interact. energy: -0.004 local terms energy: -34.720928 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -51.223235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.223235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.223235 (E_RNA) where: Base-Base interactions energy: -21.643 where: short stacking energy: -11.900 Base-Backbone interact. energy: -0.002 local terms energy: -29.578864 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -3.663 tors. eta vs tors. theta energy: -1.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -52.706413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.706413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.706413 (E_RNA) where: Base-Base interactions energy: -21.950 where: short stacking energy: -15.395 Base-Backbone interact. energy: -0.171 local terms energy: -30.585213 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.810 flat angles P-C4'-P energy: -3.969 tors. eta vs tors. theta energy: -1.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -51.744386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.744386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.744386 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -15.161 Base-Backbone interact. energy: -0.001 local terms energy: -36.582454 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.937 flat angles P-C4'-P energy: -6.502 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: 8, replica: 1 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -44.540443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.540443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.540443 (E_RNA) where: Base-Base interactions energy: -16.930 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.001 local terms energy: -27.609506 where: bonds (distance) C4'-P energy: -7.745 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -4.146 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: 9, replica: 5 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -38.533809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.533809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.533809 (E_RNA) where: Base-Base interactions energy: -13.473 where: short stacking energy: -13.473 Base-Backbone interact. energy: -0.096 local terms energy: -24.964418 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -3.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -44.700738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.700738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.700738 (E_RNA) where: Base-Base interactions energy: -20.413 where: short stacking energy: -18.042 Base-Backbone interact. energy: -0.009 local terms energy: -24.278847 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -6.799 flat angles C4'-P-C4' energy: -4.008 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -75.595080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.595080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.595080 (E_RNA) where: Base-Base interactions energy: -42.674 where: short stacking energy: -23.127 Base-Backbone interact. energy: -1.627 local terms energy: -31.294048 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.532 tors. eta vs tors. theta energy: -4.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -63.629628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.629628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.629628 (E_RNA) where: Base-Base interactions energy: -27.803 where: short stacking energy: -25.121 Base-Backbone interact. energy: -0.005 local terms energy: -35.820772 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -7.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -62.354128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.354128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.354128 (E_RNA) where: Base-Base interactions energy: -28.152 where: short stacking energy: -26.012 Base-Backbone interact. energy: -0.006 local terms energy: -34.196314 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -62.854554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.854554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.854554 (E_RNA) where: Base-Base interactions energy: -28.589 where: short stacking energy: -16.954 Base-Backbone interact. energy: -0.001 local terms energy: -34.265080 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -4.544 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: 5, replica: 9 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -61.837180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.837180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.837180 (E_RNA) where: Base-Base interactions energy: -34.429 where: short stacking energy: -15.191 Base-Backbone interact. energy: -0.196 local terms energy: -27.212234 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: 0.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -52.502847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.502847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.502847 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.002 local terms energy: -33.995758 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -4.038 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: 1 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -42.201364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.201364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.201364 (E_RNA) where: Base-Base interactions energy: -15.704 where: short stacking energy: -9.593 Base-Backbone interact. energy: -0.907 local terms energy: -25.590324 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -0.009 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -51.345855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.345855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.345855 (E_RNA) where: Base-Base interactions energy: -19.603 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.013 local terms energy: -31.729404 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -5.724 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -6.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -43.780939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.780939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.780939 (E_RNA) where: Base-Base interactions energy: -13.016 where: short stacking energy: -9.430 Base-Backbone interact. energy: -0.190 local terms energy: -30.574985 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -0.904 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: 5 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -45.037620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.037620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.037620 (E_RNA) where: Base-Base interactions energy: -13.840 where: short stacking energy: -12.026 Base-Backbone interact. energy: 0.294 local terms energy: -31.491845 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -5.254 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: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -79.394480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.394480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.394480 (E_RNA) where: Base-Base interactions energy: -44.553 where: short stacking energy: -21.949 Base-Backbone interact. energy: -0.530 local terms energy: -34.311339 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -4.914 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: 2, replica: 7 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -73.545488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.545488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.545488 (E_RNA) where: Base-Base interactions energy: -33.617 where: short stacking energy: -33.617 Base-Backbone interact. energy: -0.000 local terms energy: -39.928345 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -11.042 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: 6 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -64.478676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.478676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.478676 (E_RNA) where: Base-Base interactions energy: -31.224 where: short stacking energy: -24.112 Base-Backbone interact. energy: 0.021 local terms energy: -33.275995 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -6.705 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: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -57.043557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.043557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.043557 (E_RNA) where: Base-Base interactions energy: -27.496 where: short stacking energy: -16.749 Base-Backbone interact. energy: -0.274 local terms energy: -29.273987 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -51.580974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.580974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.580974 (E_RNA) where: Base-Base interactions energy: -21.302 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.002 local terms energy: -30.277027 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -2.454 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: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -45.496048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.496048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.496048 (E_RNA) where: Base-Base interactions energy: -19.424 where: short stacking energy: -19.424 Base-Backbone interact. energy: -0.003 local terms energy: -26.068291 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -3.717 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -1.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -46.666222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.666222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.666222 (E_RNA) where: Base-Base interactions energy: -19.155 where: short stacking energy: -16.778 Base-Backbone interact. energy: -0.052 local terms energy: -27.458588 where: bonds (distance) C4'-P energy: -5.908 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.412 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -50.104726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.104726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.104726 (E_RNA) where: Base-Base interactions energy: -25.929 where: short stacking energy: -7.599 Base-Backbone interact. energy: -0.094 local terms energy: -24.082323 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -7.035 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -39.539020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.539020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.539020 (E_RNA) where: Base-Base interactions energy: -18.442 where: short stacking energy: -10.660 Base-Backbone interact. energy: -0.103 local terms energy: -20.994012 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -39.191572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.191572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.191572 (E_RNA) where: Base-Base interactions energy: -12.368 where: short stacking energy: -12.368 Base-Backbone interact. energy: -0.098 local terms energy: -26.724965 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -8.535 flat angles P-C4'-P energy: -4.221 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: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -81.941113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.941113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.941113 (E_RNA) where: Base-Base interactions energy: -44.689 where: short stacking energy: -19.530 Base-Backbone interact. energy: -0.265 local terms energy: -36.987013 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.518 flat angles P-C4'-P energy: -3.983 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: 2, replica: 7 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -67.516055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.516055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.516055 (E_RNA) where: Base-Base interactions energy: -30.353 where: short stacking energy: -30.353 Base-Backbone interact. energy: -0.036 local terms energy: -37.126974 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -8.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -53.534813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.534813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.534813 (E_RNA) where: Base-Base interactions energy: -20.840 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.087 local terms energy: -32.607734 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -4.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -58.075035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.075035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.075035 (E_RNA) where: Base-Base interactions energy: -21.235 where: short stacking energy: -21.235 Base-Backbone interact. energy: -0.328 local terms energy: -36.511789 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -55.214767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.214767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.214767 (E_RNA) where: Base-Base interactions energy: -21.090 where: short stacking energy: -21.090 Base-Backbone interact. energy: -0.000 local terms energy: -34.124237 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -4.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -48.841450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.841450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.841450 (E_RNA) where: Base-Base interactions energy: -21.427 where: short stacking energy: -15.556 Base-Backbone interact. energy: -0.443 local terms energy: -26.971602 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -1.653 tors. eta vs tors. theta energy: -1.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -43.963721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.963721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.963721 (E_RNA) where: Base-Base interactions energy: -12.804 where: short stacking energy: -12.804 Base-Backbone interact. energy: -0.089 local terms energy: -31.070385 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -49.016297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.016297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.016297 (E_RNA) where: Base-Base interactions energy: -17.463 where: short stacking energy: -17.463 Base-Backbone interact. energy: -1.002 local terms energy: -30.551076 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -4.296 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: 9, replica: 5 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -40.863772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863772 (E_RNA) where: Base-Base interactions energy: -17.533 where: short stacking energy: -17.039 Base-Backbone interact. energy: -0.014 local terms energy: -23.316817 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -3.696 flat angles P-C4'-P energy: -1.593 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: 10, replica: 4 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -38.281207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.281207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.281207 (E_RNA) where: Base-Base interactions energy: -10.811 where: short stacking energy: -10.811 Base-Backbone interact. energy: -0.212 local terms energy: -27.258893 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -62.452763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.452763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.452763 (E_RNA) where: Base-Base interactions energy: -32.525 where: short stacking energy: -19.801 Base-Backbone interact. energy: -0.081 local terms energy: -29.846932 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -1.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -62.091503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.091503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.091503 (E_RNA) where: Base-Base interactions energy: -27.647 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.001 local terms energy: -34.443135 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -6.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -53.863839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.863839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.863839 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -18.533 Base-Backbone interact. energy: -0.029 local terms energy: -31.290333 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.100 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -3.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -55.211247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.211247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.211247 (E_RNA) where: Base-Base interactions energy: -20.960 where: short stacking energy: -19.112 Base-Backbone interact. energy: -0.115 local terms energy: -34.135790 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -49.243360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.243360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.243360 (E_RNA) where: Base-Base interactions energy: -20.491 where: short stacking energy: -20.991 Base-Backbone interact. energy: -0.001 local terms energy: -28.751056 where: bonds (distance) C4'-P energy: -4.181 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -3.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -46.602111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.602111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.602111 (E_RNA) where: Base-Base interactions energy: -19.932 where: short stacking energy: -18.691 Base-Backbone interact. energy: -0.005 local terms energy: -26.665160 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -2.352 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -60.772849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.772849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.772849 (E_RNA) where: Base-Base interactions energy: -28.048 where: short stacking energy: -24.975 Base-Backbone interact. energy: -0.968 local terms energy: -31.756912 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -4.756 flat angles C4'-P-C4' energy: -5.192 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -8.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -49.486790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.486790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.486790 (E_RNA) where: Base-Base interactions energy: -16.720 where: short stacking energy: -16.720 Base-Backbone interact. energy: -0.843 local terms energy: -31.923983 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -51.134168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.134168 (E_RNA) where: Base-Base interactions energy: -20.538 where: short stacking energy: -20.339 Base-Backbone interact. energy: -0.003 local terms energy: -30.593126 where: bonds (distance) C4'-P energy: -3.220 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.015 flat angles P-C4'-P energy: -6.447 tors. eta vs tors. theta energy: -6.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -38.749050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.749050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.749050 (E_RNA) where: Base-Base interactions energy: -12.136 where: short stacking energy: -11.431 Base-Backbone interact. energy: -0.057 local terms energy: -26.555706 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.870 flat angles C4'-P-C4' energy: -4.953 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -72.586035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.586035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.586035 (E_RNA) where: Base-Base interactions energy: -36.785 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.003 local terms energy: -35.797503 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -8.237 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -6.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -59.495424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.495424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.495424 (E_RNA) where: Base-Base interactions energy: -26.862 where: short stacking energy: -26.862 Base-Backbone interact. energy: -0.000 local terms energy: -32.633043 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -4.560 tors. eta vs tors. theta energy: -5.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -60.706343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.706343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.706343 (E_RNA) where: Base-Base interactions energy: -24.299 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.000 local terms energy: -36.406603 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -6.676 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: 4, replica: 9 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -59.414632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.414632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.414632 (E_RNA) where: Base-Base interactions energy: -24.432 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.051 local terms energy: -34.932227 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -8.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -48.638206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.638206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.638206 (E_RNA) where: Base-Base interactions energy: -16.733 where: short stacking energy: -14.602 Base-Backbone interact. energy: -0.036 local terms energy: -31.869268 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -2.440 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: 1 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -51.231591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.231591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.231591 (E_RNA) where: Base-Base interactions energy: -19.776 where: short stacking energy: -19.776 Base-Backbone interact. energy: -0.071 local terms energy: -31.384663 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -5.630 tors. eta vs tors. theta energy: -4.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -43.632161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.632161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.632161 (E_RNA) where: Base-Base interactions energy: -19.512 where: short stacking energy: -19.512 Base-Backbone interact. energy: -0.018 local terms energy: -24.102150 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -4.175 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -2.918 tors. eta vs tors. theta energy: -3.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -40.384661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.384661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.384661 (E_RNA) where: Base-Base interactions energy: -19.453 where: short stacking energy: -14.007 Base-Backbone interact. energy: -0.015 local terms energy: -20.916347 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -3.689 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -2.682 tors. eta vs tors. theta energy: -0.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -44.263663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.263663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.263663 (E_RNA) where: Base-Base interactions energy: -14.974 where: short stacking energy: -12.993 Base-Backbone interact. energy: -0.000 local terms energy: -29.288947 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.432 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -3.326 tors. eta vs tors. theta energy: -2.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -47.719294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.719294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.719294 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.013 local terms energy: -29.898230 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -6.423 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: 1, replica: 2 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -78.848518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.848518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.848518 (E_RNA) where: Base-Base interactions energy: -47.109 where: short stacking energy: -23.303 Base-Backbone interact. energy: 0.245 local terms energy: -31.984679 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.834 flat angles P-C4'-P energy: -4.866 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: 2, replica: 6 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -65.613932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.613932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.613932 (E_RNA) where: Base-Base interactions energy: -27.771 where: short stacking energy: -27.771 Base-Backbone interact. energy: -0.062 local terms energy: -37.781290 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.642 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: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -51.903768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.903768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.903768 (E_RNA) where: Base-Base interactions energy: -23.745 where: short stacking energy: -10.276 Base-Backbone interact. energy: -0.107 local terms energy: -28.052363 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: 0.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -53.062734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.062734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.062734 (E_RNA) where: Base-Base interactions energy: -23.602 where: short stacking energy: -15.090 Base-Backbone interact. energy: -0.061 local terms energy: -29.400223 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -2.881 flat angles P-C4'-P energy: -7.013 tors. eta vs tors. theta energy: -2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -46.150075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.150075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.150075 (E_RNA) where: Base-Base interactions energy: -15.878 where: short stacking energy: -15.878 Base-Backbone interact. energy: 0.023 local terms energy: -30.295149 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.070 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: 6, replica: 5 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -44.325937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.325937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.325937 (E_RNA) where: Base-Base interactions energy: -20.898 where: short stacking energy: -12.432 Base-Backbone interact. energy: -0.187 local terms energy: -23.240676 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -1.402 tors. eta vs tors. theta energy: -0.215 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: 57 Temperature: 1.200000 Total energy: -42.266007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.266007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.266007 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: 0.201 local terms energy: -29.580643 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -3.817 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: 3 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -45.906480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906480 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -14.203 Base-Backbone interact. energy: -0.100 local terms energy: -31.603648 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -44.077066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.077066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.077066 (E_RNA) where: Base-Base interactions energy: -13.275 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.002 local terms energy: -30.800229 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.306 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -43.167424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.167424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.167424 (E_RNA) where: Base-Base interactions energy: -12.245 where: short stacking energy: -11.932 Base-Backbone interact. energy: -0.008 local terms energy: -30.915076 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -75.312445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.312445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.312445 (E_RNA) where: Base-Base interactions energy: -41.565 where: short stacking energy: -23.490 Base-Backbone interact. energy: -0.100 local terms energy: -33.648376 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -5.709 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: 2, replica: 2 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -82.599384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.599384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.599384 (E_RNA) where: Base-Base interactions energy: -46.801 where: short stacking energy: -26.962 Base-Backbone interact. energy: 0.361 local terms energy: -36.160151 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -7.413 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -55.166323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.166323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.166323 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.015 local terms energy: -35.573368 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.765 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: 4, replica: 7 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -56.115485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.115485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.115485 (E_RNA) where: Base-Base interactions energy: -24.770 where: short stacking energy: -24.770 Base-Backbone interact. energy: -0.000 local terms energy: -31.344955 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -3.002 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: 5, replica: 5 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -60.972547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.972547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.972547 (E_RNA) where: Base-Base interactions energy: -27.256 where: short stacking energy: -27.256 Base-Backbone interact. energy: -0.001 local terms energy: -33.714942 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.989 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: 6, replica: 9 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -46.877377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.877377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.877377 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -15.464 Base-Backbone interact. energy: -0.001 local terms energy: -31.412587 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -5.045 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: 7, replica: 3 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -62.888642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.888642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.888642 (E_RNA) where: Base-Base interactions energy: -33.867 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.201 local terms energy: -28.821026 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -3.565 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: 1 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -45.041092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.041092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.041092 (E_RNA) where: Base-Base interactions energy: -18.286 where: short stacking energy: -17.395 Base-Backbone interact. energy: -0.052 local terms energy: -26.702457 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -2.757 tors. eta vs tors. theta energy: -2.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -50.887679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.887679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.887679 (E_RNA) where: Base-Base interactions energy: -23.637 where: short stacking energy: -18.608 Base-Backbone interact. energy: -0.061 local terms energy: -27.190252 where: bonds (distance) C4'-P energy: -5.700 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -1.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -44.094150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.094150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.094150 (E_RNA) where: Base-Base interactions energy: -15.303 where: short stacking energy: -12.844 Base-Backbone interact. energy: -0.121 local terms energy: -28.669543 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -5.706 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -75.915326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.915326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.915326 (E_RNA) where: Base-Base interactions energy: -41.885 where: short stacking energy: -25.039 Base-Backbone interact. energy: -0.127 local terms energy: -33.903411 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -3.783 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: 2, replica: 2 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -69.776416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.776416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.776416 (E_RNA) where: Base-Base interactions energy: -36.285 where: short stacking energy: -24.332 Base-Backbone interact. energy: 1.721 local terms energy: -35.211689 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -4.884 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: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -58.520215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.520215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.520215 (E_RNA) where: Base-Base interactions energy: -26.343 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.056 local terms energy: -32.121466 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -6.491 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: 4, replica: 7 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -56.318928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.318928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.318928 (E_RNA) where: Base-Base interactions energy: -25.154 where: short stacking energy: -16.109 Base-Backbone interact. energy: -0.473 local terms energy: -30.691394 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -7.135 tors. eta vs tors. theta energy: -1.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -63.303467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.303467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.303467 (E_RNA) where: Base-Base interactions energy: -35.043 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.039 local terms energy: -28.221793 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.214 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -2.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -51.673509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.673509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.673509 (E_RNA) where: Base-Base interactions energy: -16.203 where: short stacking energy: -16.203 Base-Backbone interact. energy: -0.050 local terms energy: -35.420385 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -6.178 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: 7, replica: 9 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -45.883294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.883294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.883294 (E_RNA) where: Base-Base interactions energy: -21.768 where: short stacking energy: -21.768 Base-Backbone interact. energy: -0.118 local terms energy: -23.997629 where: bonds (distance) C4'-P energy: -3.849 bonds (distance) P-C4' energy: -4.134 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -44.062066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.062066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.062066 (E_RNA) where: Base-Base interactions energy: -15.426 where: short stacking energy: -15.426 Base-Backbone interact. energy: -0.004 local terms energy: -28.632004 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -6.183 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: 1 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -48.284005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.284005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.284005 (E_RNA) where: Base-Base interactions energy: -22.141 where: short stacking energy: -15.143 Base-Backbone interact. energy: -0.072 local terms energy: -26.070767 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -2.195 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -38.650015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.650015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.650015 (E_RNA) where: Base-Base interactions energy: -19.312 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.017 local terms energy: -19.320449 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -3.136 flat angles P-C4'-P energy: -1.167 tors. eta vs tors. theta energy: -0.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -70.136248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.136248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.136248 (E_RNA) where: Base-Base interactions energy: -37.726 where: short stacking energy: -22.980 Base-Backbone interact. energy: -0.001 local terms energy: -32.408800 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -9.307 flat angles P-C4'-P energy: -4.661 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: 2, replica: 6 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -68.612918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.612918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.612918 (E_RNA) where: Base-Base interactions energy: -32.082 where: short stacking energy: -26.871 Base-Backbone interact. energy: -0.001 local terms energy: -36.529971 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -3.608 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -10.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -56.701738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.701738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.701738 (E_RNA) where: Base-Base interactions energy: -25.373 where: short stacking energy: -25.373 Base-Backbone interact. energy: -0.005 local terms energy: -31.323277 where: bonds (distance) C4'-P energy: -5.331 bonds (distance) P-C4' energy: -6.258 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.698 tors. eta vs tors. theta energy: -5.936 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: 7 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -69.181927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.181927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.181927 (E_RNA) where: Base-Base interactions energy: -32.288 where: short stacking energy: -22.737 Base-Backbone interact. energy: -0.053 local terms energy: -36.840709 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -5.813 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: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -57.248475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.248475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.248475 (E_RNA) where: Base-Base interactions energy: -22.614 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.000 local terms energy: -34.634869 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.231 flat angles P-C4'-P energy: -7.783 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: 6, replica: 5 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -50.870485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.870485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.870485 (E_RNA) where: Base-Base interactions energy: -22.555 where: short stacking energy: -19.061 Base-Backbone interact. energy: -0.014 local terms energy: -28.302074 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -3.565 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: 4 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -56.191011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.191011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.191011 (E_RNA) where: Base-Base interactions energy: -21.914 where: short stacking energy: -21.914 Base-Backbone interact. energy: -0.000 local terms energy: -34.277487 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -3.018 tors. eta vs tors. theta energy: -9.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -44.010609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010609 (E_RNA) where: Base-Base interactions energy: -14.243 where: short stacking energy: -7.528 Base-Backbone interact. energy: -0.009 local terms energy: -29.758081 where: bonds (distance) C4'-P energy: -5.546 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -3.906 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -42.284235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.284235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.284235 (E_RNA) where: Base-Base interactions energy: -17.381 where: short stacking energy: -13.852 Base-Backbone interact. energy: -0.048 local terms energy: -24.855462 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -1.884 tors. eta vs tors. theta energy: -3.137 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: 1 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -42.248539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.248539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.248539 (E_RNA) where: Base-Base interactions energy: -16.931 where: short stacking energy: -16.896 Base-Backbone interact. energy: -0.011 local terms energy: -25.306593 where: bonds (distance) C4'-P energy: -2.699 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -2.751 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -75.714908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.714908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.714908 (E_RNA) where: Base-Base interactions energy: -40.869 where: short stacking energy: -30.662 Base-Backbone interact. energy: -0.001 local terms energy: -34.844890 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -8.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -65.864680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.864680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.864680 (E_RNA) where: Base-Base interactions energy: -30.454 where: short stacking energy: -27.035 Base-Backbone interact. energy: -0.005 local terms energy: -35.406213 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.581 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -5.590 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: 3, replica: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -57.023628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.023628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.023628 (E_RNA) where: Base-Base interactions energy: -24.827 where: short stacking energy: -24.827 Base-Backbone interact. energy: -0.004 local terms energy: -32.193524 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -55.365948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.365948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.365948 (E_RNA) where: Base-Base interactions energy: -27.051 where: short stacking energy: -27.051 Base-Backbone interact. energy: -0.079 local terms energy: -28.235862 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -4.295 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: 7 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -49.964161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.964161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.964161 (E_RNA) where: Base-Base interactions energy: -19.398 where: short stacking energy: -17.958 Base-Backbone interact. energy: -0.023 local terms energy: -30.542901 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.361 flat angles P-C4'-P energy: -5.442 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: 6, replica: 4 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -63.240715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.240715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.240715 (E_RNA) where: Base-Base interactions energy: -29.192 where: short stacking energy: -29.192 Base-Backbone interact. energy: -0.002 local terms energy: -34.046609 where: bonds (distance) C4'-P energy: -5.639 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -5.608 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: 7, replica: 5 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -54.770862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.770862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.770862 (E_RNA) where: Base-Base interactions energy: -25.508 where: short stacking energy: -17.823 Base-Backbone interact. energy: -0.029 local terms energy: -29.233912 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -44.093387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.093387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.093387 (E_RNA) where: Base-Base interactions energy: -19.582 where: short stacking energy: -7.011 Base-Backbone interact. energy: 0.736 local terms energy: -25.246908 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.591 tors. eta vs tors. theta energy: 0.127 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: 8 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -50.898753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.898753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.898753 (E_RNA) where: Base-Base interactions energy: -20.665 where: short stacking energy: -20.036 Base-Backbone interact. energy: -0.013 local terms energy: -30.220327 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -49.887972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.887972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.887972 (E_RNA) where: Base-Base interactions energy: -26.316 where: short stacking energy: -12.670 Base-Backbone interact. energy: 2.634 local terms energy: -26.205706 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.391 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -1.740 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: 1, replica: 2 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -86.308015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.308015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.308015 (E_RNA) where: Base-Base interactions energy: -50.413 where: short stacking energy: -22.000 Base-Backbone interact. energy: -0.287 local terms energy: -35.607916 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -6.296 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: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -61.830289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.830289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.830289 (E_RNA) where: Base-Base interactions energy: -27.489 where: short stacking energy: -27.489 Base-Backbone interact. energy: -0.034 local terms energy: -34.307361 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -8.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -62.620752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.620752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.620752 (E_RNA) where: Base-Base interactions energy: -26.990 where: short stacking energy: -26.990 Base-Backbone interact. energy: -0.001 local terms energy: -35.629507 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -6.746 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: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -52.988261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.988261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.988261 (E_RNA) where: Base-Base interactions energy: -23.729 where: short stacking energy: -18.890 Base-Backbone interact. energy: -0.091 local terms energy: -29.168481 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -7.842 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -56.694659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.694659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.694659 (E_RNA) where: Base-Base interactions energy: -23.196 where: short stacking energy: -23.196 Base-Backbone interact. energy: -0.010 local terms energy: -33.489534 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -51.361305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.361305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.361305 (E_RNA) where: Base-Base interactions energy: -26.961 where: short stacking energy: -16.070 Base-Backbone interact. energy: -0.158 local terms energy: -24.242620 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: 0.834 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: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -57.296032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.296032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.296032 (E_RNA) where: Base-Base interactions energy: -29.449 where: short stacking energy: -24.146 Base-Backbone interact. energy: -0.001 local terms energy: -27.846628 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -5.606 flat angles C4'-P-C4' energy: -8.318 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -54.235952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.235952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.235952 (E_RNA) where: Base-Base interactions energy: -25.033 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.513 local terms energy: -28.690022 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -2.827 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: 8 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -44.925249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.925249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.925249 (E_RNA) where: Base-Base interactions energy: -16.229 where: short stacking energy: -16.229 Base-Backbone interact. energy: -0.002 local terms energy: -28.694822 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -3.251 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -5.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -43.379928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.379928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.379928 (E_RNA) where: Base-Base interactions energy: -14.231 where: short stacking energy: -14.231 Base-Backbone interact. energy: -0.053 local terms energy: -29.095367 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -4.361 flat angles P-C4'-P energy: -6.989 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -81.486849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.486849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.486849 (E_RNA) where: Base-Base interactions energy: -48.068 where: short stacking energy: -23.606 Base-Backbone interact. energy: 0.476 local terms energy: -33.895713 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.664 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -3.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -65.060601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.060601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.060601 (E_RNA) where: Base-Base interactions energy: -29.825 where: short stacking energy: -29.825 Base-Backbone interact. energy: -0.000 local terms energy: -35.235322 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -9.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -57.935400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.935400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.935400 (E_RNA) where: Base-Base interactions energy: -22.899 where: short stacking energy: -20.082 Base-Backbone interact. energy: -0.002 local terms energy: -35.034339 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -3.223 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: 4 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -57.259301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.259301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.259301 (E_RNA) where: Base-Base interactions energy: -22.571 where: short stacking energy: -22.571 Base-Backbone interact. energy: -0.001 local terms energy: -34.687369 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.895 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -6.320 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: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -56.442914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.442914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.442914 (E_RNA) where: Base-Base interactions energy: -21.836 where: short stacking energy: -21.836 Base-Backbone interact. energy: -0.001 local terms energy: -34.605771 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -5.750 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: 6, replica: 9 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -54.965322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.965322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.965322 (E_RNA) where: Base-Base interactions energy: -20.875 where: short stacking energy: -20.665 Base-Backbone interact. energy: -0.002 local terms energy: -34.088859 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -4.992 tors. eta vs tors. theta energy: -5.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -42.715730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.715730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.715730 (E_RNA) where: Base-Base interactions energy: -16.253 where: short stacking energy: -16.253 Base-Backbone interact. energy: -0.042 local terms energy: -26.420453 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -2.159 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) ================================== temp. level: 8, replica: 8 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -48.984501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.984501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.984501 (E_RNA) where: Base-Base interactions energy: -15.330 where: short stacking energy: -15.330 Base-Backbone interact. energy: -0.000 local terms energy: -33.654324 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -4.687 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: 9, replica: 5 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -39.494389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.494389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.494389 (E_RNA) where: Base-Base interactions energy: -12.373 where: short stacking energy: -7.375 Base-Backbone interact. energy: -0.035 local terms energy: -27.086356 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -0.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -36.220935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.220935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.220935 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -3.418 Base-Backbone interact. energy: -0.470 local terms energy: -19.732637 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: 3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -82.016452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.016452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.016452 (E_RNA) where: Base-Base interactions energy: -49.015 where: short stacking energy: -29.996 Base-Backbone interact. energy: -0.000 local terms energy: -33.001395 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -8.257 flat angles P-C4'-P energy: -4.396 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: 10 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -71.598727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.598727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.598727 (E_RNA) where: Base-Base interactions energy: -34.901 where: short stacking energy: -25.850 Base-Backbone interact. energy: -0.008 local terms energy: -36.689827 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -62.502619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.502619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.502619 (E_RNA) where: Base-Base interactions energy: -30.233 where: short stacking energy: -22.384 Base-Backbone interact. energy: -0.001 local terms energy: -32.268807 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.949 flat angles P-C4'-P energy: -3.464 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: 4, replica: 6 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -63.745473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.745473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.745473 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.000 local terms energy: -38.203332 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.500 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -9.138 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: 9 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -50.975278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.975278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.975278 (E_RNA) where: Base-Base interactions energy: -21.064 where: short stacking energy: -21.064 Base-Backbone interact. energy: -0.088 local terms energy: -29.822868 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -3.629 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: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -49.674099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.674099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.674099 (E_RNA) where: Base-Base interactions energy: -21.835 where: short stacking energy: -21.835 Base-Backbone interact. energy: -0.200 local terms energy: -27.639020 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -3.023 tors. eta vs tors. theta energy: -3.318 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: 7, replica: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -48.932947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.932947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.932947 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.457 Base-Backbone interact. energy: -0.030 local terms energy: -36.446759 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -5.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -46.212521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.212521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.212521 (E_RNA) where: Base-Base interactions energy: -21.394 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.141 local terms energy: -24.678075 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -5.735 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -41.050403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.050403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.050403 (E_RNA) where: Base-Base interactions energy: -18.342 where: short stacking energy: -10.723 Base-Backbone interact. energy: -0.065 local terms energy: -22.642712 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -5.674 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -4.506 tors. eta vs tors. theta energy: 1.441 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: 64 Temperature: 1.350000 Total energy: -44.601238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.601238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.601238 (E_RNA) where: Base-Base interactions energy: -14.987 where: short stacking energy: -8.158 Base-Backbone interact. energy: -0.030 local terms energy: -29.584849 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -82.875570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.875570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.875570 (E_RNA) where: Base-Base interactions energy: -49.409 where: short stacking energy: -24.412 Base-Backbone interact. energy: 0.264 local terms energy: -33.729602 where: bonds (distance) C4'-P energy: -6.888 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -5.926 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: 2, replica: 4 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -61.831533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.831533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.831533 (E_RNA) where: Base-Base interactions energy: -27.945 where: short stacking energy: -21.965 Base-Backbone interact. energy: -0.003 local terms energy: -33.883156 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.332 flat angles P-C4'-P energy: -4.486 tors. eta vs tors. theta energy: -8.189 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: 3, replica: 10 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -55.738218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.738218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.738218 (E_RNA) where: Base-Base interactions energy: -23.135 where: short stacking energy: -20.298 Base-Backbone interact. energy: -0.100 local terms energy: -32.502954 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -4.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -67.208581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.208581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.208581 (E_RNA) where: Base-Base interactions energy: -29.640 where: short stacking energy: -29.640 Base-Backbone interact. energy: -0.000 local terms energy: -37.568871 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.058 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -10.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -52.993996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.993996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.993996 (E_RNA) where: Base-Base interactions energy: -20.665 where: short stacking energy: -20.665 Base-Backbone interact. energy: -0.068 local terms energy: -32.261336 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -9.570 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -58.919729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.919729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.919729 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -21.646 Base-Backbone interact. energy: 0.822 local terms energy: -30.626313 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -1.933 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -54.497791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.497791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.497791 (E_RNA) where: Base-Base interactions energy: -20.889 where: short stacking energy: -20.889 Base-Backbone interact. energy: -0.000 local terms energy: -33.608555 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -7.205 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -5.838 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: 65 Temperature: 1.250000 Total energy: -50.828790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.828790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.828790 (E_RNA) where: Base-Base interactions energy: -19.342 where: short stacking energy: -19.342 Base-Backbone interact. energy: -0.024 local terms energy: -31.463175 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -40.011461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.011461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.011461 (E_RNA) where: Base-Base interactions energy: -11.710 where: short stacking energy: -11.710 Base-Backbone interact. energy: -0.679 local terms energy: -27.622190 where: bonds (distance) C4'-P energy: -5.012 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -6.232 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: 10, replica: 5 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -42.593113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.593113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.593113 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.117 local terms energy: -30.025608 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -3.790 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: 2 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -79.461654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.461654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.461654 (E_RNA) where: Base-Base interactions energy: -43.646 where: short stacking energy: -31.179 Base-Backbone interact. energy: -0.000 local terms energy: -35.815506 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.629 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -57.363391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.363391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.363391 (E_RNA) where: Base-Base interactions energy: -31.996 where: short stacking energy: -21.884 Base-Backbone interact. energy: -0.024 local terms energy: -25.343660 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -2.675 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -58.244264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.244264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.244264 (E_RNA) where: Base-Base interactions energy: -21.450 where: short stacking energy: -21.450 Base-Backbone interact. energy: -0.001 local terms energy: -36.793521 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -4.811 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: 4, replica: 10 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -57.351454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.351454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.351454 (E_RNA) where: Base-Base interactions energy: -26.641 where: short stacking energy: -26.641 Base-Backbone interact. energy: -0.000 local terms energy: -30.709828 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -1.342 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: 8 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -55.925244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.925244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.925244 (E_RNA) where: Base-Base interactions energy: -19.340 where: short stacking energy: -19.165 Base-Backbone interact. energy: -0.365 local terms energy: -36.219568 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -6.535 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: 9 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -50.368785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.368785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.368785 (E_RNA) where: Base-Base interactions energy: -20.452 where: short stacking energy: -20.452 Base-Backbone interact. energy: -0.110 local terms energy: -29.806548 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: -2.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -47.188034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.188034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.188034 (E_RNA) where: Base-Base interactions energy: -22.096 where: short stacking energy: -22.096 Base-Backbone interact. energy: -0.015 local terms energy: -25.076692 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -0.370 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: 8, replica: 3 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -48.273312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.273312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.273312 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.049 local terms energy: -29.496303 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -4.551 flat angles C4'-P-C4' energy: -3.909 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -42.812866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.812866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.812866 (E_RNA) where: Base-Base interactions energy: -13.399 where: short stacking energy: -12.514 Base-Backbone interact. energy: -0.020 local terms energy: -29.393690 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -41.248851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.248851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.248851 (E_RNA) where: Base-Base interactions energy: -16.456 where: short stacking energy: -16.756 Base-Backbone interact. energy: -0.551 local terms energy: -24.241914 where: bonds (distance) C4'-P energy: -3.538 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.782 flat angles P-C4'-P energy: -1.795 tors. eta vs tors. theta energy: -3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -76.542881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.542881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.542881 (E_RNA) where: Base-Base interactions energy: -40.140 where: short stacking energy: -28.660 Base-Backbone interact. energy: -0.002 local terms energy: -36.400883 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -5.248 tors. eta vs tors. theta energy: -8.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -63.942704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.942704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.942704 (E_RNA) where: Base-Base interactions energy: -33.985 where: short stacking energy: -18.718 Base-Backbone interact. energy: -1.477 local terms energy: -28.480875 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.431 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -2.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -62.517808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.517808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.517808 (E_RNA) where: Base-Base interactions energy: -29.124 where: short stacking energy: -21.331 Base-Backbone interact. energy: 1.414 local terms energy: -34.807212 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -6.672 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: 4, replica: 8 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -60.028566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.028566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.028566 (E_RNA) where: Base-Base interactions energy: -27.235 where: short stacking energy: -23.156 Base-Backbone interact. energy: -0.057 local terms energy: -32.736819 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -2.940 tors. eta vs tors. theta energy: -4.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -47.373954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.373954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.373954 (E_RNA) where: Base-Base interactions energy: -21.111 where: short stacking energy: -17.269 Base-Backbone interact. energy: -0.116 local terms energy: -26.147317 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -1.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -49.583551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.583551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.583551 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -12.498 Base-Backbone interact. energy: -0.080 local terms energy: -29.186154 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.775 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: 0.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -46.756080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.756080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.756080 (E_RNA) where: Base-Base interactions energy: -14.518 where: short stacking energy: -14.518 Base-Backbone interact. energy: -0.244 local terms energy: -31.994330 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -3.985 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: 67 Temperature: 1.250000 Total energy: -40.576280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.576280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.576280 (E_RNA) where: Base-Base interactions energy: -18.811 where: short stacking energy: -16.042 Base-Backbone interact. energy: -0.113 local terms energy: -21.651834 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -0.789 tors. eta vs tors. theta energy: 1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -39.470860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.470860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.470860 (E_RNA) where: Base-Base interactions energy: -15.663 where: short stacking energy: -15.663 Base-Backbone interact. energy: -0.092 local terms energy: -23.716664 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -3.741 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -0.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -40.093218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.093218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.093218 (E_RNA) where: Base-Base interactions energy: -13.811 where: short stacking energy: -13.811 Base-Backbone interact. energy: -0.038 local terms energy: -26.244794 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: 0.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -62.427686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.427686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.427686 (E_RNA) where: Base-Base interactions energy: -25.050 where: short stacking energy: -25.050 Base-Backbone interact. energy: -0.059 local terms energy: -37.319224 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.450 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -79.837896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.837896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.837896 (E_RNA) where: Base-Base interactions energy: -45.117 where: short stacking energy: -23.850 Base-Backbone interact. energy: -0.006 local terms energy: -34.715179 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.936 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -4.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -61.273115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.273115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.273115 (E_RNA) where: Base-Base interactions energy: -31.216 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.613 local terms energy: -29.444182 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.792 tors. eta vs tors. theta energy: -4.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -60.049040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.049040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.049040 (E_RNA) where: Base-Base interactions energy: -25.979 where: short stacking energy: -22.430 Base-Backbone interact. energy: -0.043 local terms energy: -34.026887 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -2.197 tors. eta vs tors. theta energy: -8.444 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: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -54.840561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.840561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.840561 (E_RNA) where: Base-Base interactions energy: -22.084 where: short stacking energy: -22.084 Base-Backbone interact. energy: -0.032 local terms energy: -32.724743 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -5.423 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: 10 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -54.567457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.567457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.567457 (E_RNA) where: Base-Base interactions energy: -25.929 where: short stacking energy: -25.929 Base-Backbone interact. energy: -0.001 local terms energy: -28.637698 where: bonds (distance) C4'-P energy: -4.794 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -3.443 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: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -46.456854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.456854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.456854 (E_RNA) where: Base-Base interactions energy: -21.539 where: short stacking energy: -21.539 Base-Backbone interact. energy: -0.005 local terms energy: -24.913038 where: bonds (distance) C4'-P energy: -4.053 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -3.530 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -47.349066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.349066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.349066 (E_RNA) where: Base-Base interactions energy: -18.682 where: short stacking energy: -18.682 Base-Backbone interact. energy: -0.053 local terms energy: -28.614238 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -43.302875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.302875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.302875 (E_RNA) where: Base-Base interactions energy: -18.556 where: short stacking energy: -18.047 Base-Backbone interact. energy: -0.100 local terms energy: -24.646487 where: bonds (distance) C4'-P energy: -2.739 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.020 flat angles P-C4'-P energy: -2.893 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: 3 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -34.325613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.325613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.325613 (E_RNA) where: Base-Base interactions energy: -6.359 where: short stacking energy: -6.359 Base-Backbone interact. energy: -0.025 local terms energy: -27.941255 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -3.656 tors. eta vs tors. theta energy: 1.141 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: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -67.811859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.811859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.811859 (E_RNA) where: Base-Base interactions energy: -30.810 where: short stacking energy: -30.810 Base-Backbone interact. energy: -0.000 local terms energy: -37.001520 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -9.131 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: 2, replica: 8 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -62.368178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.368178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.368178 (E_RNA) where: Base-Base interactions energy: -27.551 where: short stacking energy: -22.096 Base-Backbone interact. energy: -0.001 local terms energy: -34.815999 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -5.375 flat angles P-C4'-P energy: -5.648 tors. eta vs tors. theta energy: -8.187 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: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -61.239470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.239470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.239470 (E_RNA) where: Base-Base interactions energy: -27.297 where: short stacking energy: -27.297 Base-Backbone interact. energy: -0.000 local terms energy: -33.941991 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -3.928 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: 4, replica: 1 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -55.799561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.799561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.799561 (E_RNA) where: Base-Base interactions energy: -24.771 where: short stacking energy: -24.771 Base-Backbone interact. energy: -0.000 local terms energy: -31.028557 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.769 flat angles C4'-P-C4' energy: -5.590 flat angles P-C4'-P energy: -5.928 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: 4 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -57.107165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.107165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.107165 (E_RNA) where: Base-Base interactions energy: -23.463 where: short stacking energy: -23.463 Base-Backbone interact. energy: -0.097 local terms energy: -33.546722 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -4.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -47.226916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.226916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.226916 (E_RNA) where: Base-Base interactions energy: -22.053 where: short stacking energy: -12.904 Base-Backbone interact. energy: -0.028 local terms energy: -25.145723 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.052 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: 10 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -45.039620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.039620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.039620 (E_RNA) where: Base-Base interactions energy: -17.163 where: short stacking energy: -17.163 Base-Backbone interact. energy: -0.004 local terms energy: -27.872517 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -5.112 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: 8, replica: 7 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -42.789647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.789647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.789647 (E_RNA) where: Base-Base interactions energy: -18.502 where: short stacking energy: -18.502 Base-Backbone interact. energy: -0.089 local terms energy: -24.199088 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: 0.199 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -44.206231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.206231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.206231 (E_RNA) where: Base-Base interactions energy: -13.978 where: short stacking energy: -13.978 Base-Backbone interact. energy: -0.001 local terms energy: -30.226897 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -6.843 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -40.558550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.558550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.558550 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.002 local terms energy: -27.955847 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -0.236 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -62.020222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.020222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.020222 (E_RNA) where: Base-Base interactions energy: -28.285 where: short stacking energy: -28.285 Base-Backbone interact. energy: -0.001 local terms energy: -33.733867 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -7.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -59.829038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.829038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.829038 (E_RNA) where: Base-Base interactions energy: -20.919 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.000 local terms energy: -38.910051 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -6.359 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: 3, replica: 1 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -54.123772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.123772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.123772 (E_RNA) where: Base-Base interactions energy: -20.137 where: short stacking energy: -20.137 Base-Backbone interact. energy: -0.020 local terms energy: -33.966708 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -6.194 tors. eta vs tors. theta energy: -3.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -62.636526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.636526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.636526 (E_RNA) where: Base-Base interactions energy: -35.210 where: short stacking energy: -18.090 Base-Backbone interact. energy: -0.095 local terms energy: -27.331522 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -5.241 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -73.282910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.282910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.282910 (E_RNA) where: Base-Base interactions energy: -42.783 where: short stacking energy: -27.654 Base-Backbone interact. energy: -0.083 local terms energy: -30.416730 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -1.261 tors. eta vs tors. theta energy: -6.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -44.313712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.313712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.313712 (E_RNA) where: Base-Base interactions energy: -15.962 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.138 local terms energy: -28.213374 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.876 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: 7, replica: 7 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -49.084977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.084977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.084977 (E_RNA) where: Base-Base interactions energy: -18.757 where: short stacking energy: -18.757 Base-Backbone interact. energy: -0.326 local terms energy: -30.002299 where: bonds (distance) C4'-P energy: -4.462 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.915 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: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -43.183816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.183816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.183816 (E_RNA) where: Base-Base interactions energy: -14.263 where: short stacking energy: -14.263 Base-Backbone interact. energy: -0.071 local terms energy: -28.850290 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -0.314 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: 9, replica: 5 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -41.091315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.091315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.091315 (E_RNA) where: Base-Base interactions energy: -15.592 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.033 local terms energy: -25.465987 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -1.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -39.294248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.294248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.294248 (E_RNA) where: Base-Base interactions energy: -13.547 where: short stacking energy: -12.379 Base-Backbone interact. energy: -1.165 local terms energy: -24.581719 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -2.383 flat angles P-C4'-P energy: -4.043 tors. eta vs tors. theta energy: -1.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -65.578182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.578182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.578182 (E_RNA) where: Base-Base interactions energy: -26.905 where: short stacking energy: -26.905 Base-Backbone interact. energy: -0.001 local terms energy: -38.672509 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -62.120111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.120111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.120111 (E_RNA) where: Base-Base interactions energy: -27.508 where: short stacking energy: -27.508 Base-Backbone interact. energy: -0.050 local terms energy: -34.562200 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.290 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: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -59.176448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.176448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.176448 (E_RNA) where: Base-Base interactions energy: -23.834 where: short stacking energy: -23.834 Base-Backbone interact. energy: -0.009 local terms energy: -35.333618 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -6.338 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: 9 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -53.398938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.398938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.398938 (E_RNA) where: Base-Base interactions energy: -21.801 where: short stacking energy: -21.801 Base-Backbone interact. energy: -0.000 local terms energy: -31.597313 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -6.539 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -4.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -72.577675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.577675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.577675 (E_RNA) where: Base-Base interactions energy: -43.938 where: short stacking energy: -22.134 Base-Backbone interact. energy: -0.171 local terms energy: -28.468602 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -3.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -54.767370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.767370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.767370 (E_RNA) where: Base-Base interactions energy: -17.946 where: short stacking energy: -17.946 Base-Backbone interact. energy: -0.001 local terms energy: -36.820938 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -5.550 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: 7, replica: 4 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -62.735591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.735591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.735591 (E_RNA) where: Base-Base interactions energy: -38.010 where: short stacking energy: -19.358 Base-Backbone interact. energy: -0.095 local terms energy: -24.630522 where: bonds (distance) C4'-P energy: -3.195 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -6.182 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: 5 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -41.799389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.799389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.799389 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.002 local terms energy: -23.778248 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -3.079 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -5.409 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: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -47.010126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.010126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.010126 (E_RNA) where: Base-Base interactions energy: -18.977 where: short stacking energy: -20.177 Base-Backbone interact. energy: -0.045 local terms energy: -27.988572 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -4.825 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -37.832289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.832289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.832289 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.728 Base-Backbone interact. energy: -0.059 local terms energy: -25.045077 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.219 flat angles P-C4'-P energy: -3.323 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -49.949636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.949636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.949636 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.000 local terms energy: -29.704743 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -5.212 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: 2, replica: 2 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -63.774215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.774215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.774215 (E_RNA) where: Base-Base interactions energy: -31.759 where: short stacking energy: -31.370 Base-Backbone interact. energy: -0.002 local terms energy: -32.013919 where: bonds (distance) C4'-P energy: -8.876 bonds (distance) P-C4' energy: -6.330 flat angles C4'-P-C4' energy: -5.642 flat angles P-C4'-P energy: -3.743 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: 72 Temperature: 1.000000 Total energy: -70.350757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.350757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.350757 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -25.268 Base-Backbone interact. energy: -0.082 local terms energy: -37.122166 where: bonds (distance) C4'-P energy: -7.062 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -55.637100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.637100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.637100 (E_RNA) where: Base-Base interactions energy: -22.547 where: short stacking energy: -22.547 Base-Backbone interact. energy: -0.122 local terms energy: -32.967905 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -4.823 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: 5, replica: 7 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -65.333587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.333587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.333587 (E_RNA) where: Base-Base interactions energy: -33.780 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.334 local terms energy: -31.219567 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -55.795758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.795758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.795758 (E_RNA) where: Base-Base interactions energy: -26.900 where: short stacking energy: -22.275 Base-Backbone interact. energy: -0.000 local terms energy: -28.895249 where: bonds (distance) C4'-P energy: -4.813 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -45.512708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.512708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.512708 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -18.184 Base-Backbone interact. energy: -0.025 local terms energy: -26.136223 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -44.908206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.908206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.908206 (E_RNA) where: Base-Base interactions energy: -13.184 where: short stacking energy: -13.184 Base-Backbone interact. energy: -0.053 local terms energy: -31.671558 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -3.869 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: 9, replica: 3 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -40.610174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.610174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.610174 (E_RNA) where: Base-Base interactions energy: -11.051 where: short stacking energy: -11.051 Base-Backbone interact. energy: -0.010 local terms energy: -29.549036 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -2.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -42.507945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.507945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.507945 (E_RNA) where: Base-Base interactions energy: -15.579 where: short stacking energy: -15.579 Base-Backbone interact. energy: -0.164 local terms energy: -26.765579 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -1.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -67.879034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.879034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.879034 (E_RNA) where: Base-Base interactions energy: -30.508 where: short stacking energy: -30.508 Base-Backbone interact. energy: -0.000 local terms energy: -37.371072 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -8.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -69.823532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.823532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.823532 (E_RNA) where: Base-Base interactions energy: -40.917 where: short stacking energy: -23.101 Base-Backbone interact. energy: -0.087 local terms energy: -28.819819 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -63.543160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.543160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.543160 (E_RNA) where: Base-Base interactions energy: -29.783 where: short stacking energy: -21.903 Base-Backbone interact. energy: -0.061 local terms energy: -33.699178 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -2.773 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: 4, replica: 7 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -58.062912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.062912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.062912 (E_RNA) where: Base-Base interactions energy: -24.479 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.000 local terms energy: -33.583850 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -59.603658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.603658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.603658 (E_RNA) where: Base-Base interactions energy: -27.080 where: short stacking energy: -18.777 Base-Backbone interact. energy: -0.598 local terms energy: -31.924817 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.139 tors. eta vs tors. theta energy: -1.434 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: 5 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -50.700836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.700836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.700836 (E_RNA) where: Base-Base interactions energy: -19.300 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.090 local terms energy: -31.310851 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -3.565 tors. eta vs tors. theta energy: -4.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -48.178048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.178048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.178048 (E_RNA) where: Base-Base interactions energy: -18.677 where: short stacking energy: -18.677 Base-Backbone interact. energy: -0.400 local terms energy: -29.100896 where: bonds (distance) C4'-P energy: -3.122 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.338 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: 8, replica: 3 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -54.674587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.674587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.674587 (E_RNA) where: Base-Base interactions energy: -22.469 where: short stacking energy: -22.469 Base-Backbone interact. energy: -0.000 local terms energy: -32.205211 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -4.996 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: 4 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -41.343203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.343203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.343203 (E_RNA) where: Base-Base interactions energy: -10.881 where: short stacking energy: -10.881 Base-Backbone interact. energy: -0.000 local terms energy: -30.461884 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -5.634 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -41.556029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.556029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.556029 (E_RNA) where: Base-Base interactions energy: -18.822 where: short stacking energy: -18.822 Base-Backbone interact. energy: -0.100 local terms energy: -22.633791 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -0.083 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -76.426574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.426574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.426574 (E_RNA) where: Base-Base interactions energy: -42.171 where: short stacking energy: -26.657 Base-Backbone interact. energy: -0.805 local terms energy: -33.450284 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -6.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -61.174200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.174200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.174200 (E_RNA) where: Base-Base interactions energy: -35.868 where: short stacking energy: -21.326 Base-Backbone interact. energy: -0.048 local terms energy: -25.258586 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -3.588 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -3.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -62.317947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.317947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.317947 (E_RNA) where: Base-Base interactions energy: -34.909 where: short stacking energy: -11.399 Base-Backbone interact. energy: -0.039 local terms energy: -27.369678 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -5.996 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -0.724 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: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -53.943670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.943670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.943670 (E_RNA) where: Base-Base interactions energy: -20.785 where: short stacking energy: -19.839 Base-Backbone interact. energy: -0.426 local terms energy: -32.732815 where: bonds (distance) C4'-P energy: -7.250 bonds (distance) P-C4' energy: -7.441 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -49.500742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.500742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.500742 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -20.595 Base-Backbone interact. energy: -0.200 local terms energy: -28.705716 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -5.786 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -51.275034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.275034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.275034 (E_RNA) where: Base-Base interactions energy: -20.666 where: short stacking energy: -20.666 Base-Backbone interact. energy: -0.010 local terms energy: -30.598778 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -1.716 tors. eta vs tors. theta energy: -6.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -61.007529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.007529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.007529 (E_RNA) where: Base-Base interactions energy: -35.292 where: short stacking energy: -22.348 Base-Backbone interact. energy: -0.030 local terms energy: -25.685929 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -0.044 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: 8, replica: 3 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -46.379048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.379048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.379048 (E_RNA) where: Base-Base interactions energy: -15.305 where: short stacking energy: -15.305 Base-Backbone interact. energy: -0.001 local terms energy: -31.073542 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.480 flat angles P-C4'-P energy: -4.649 tors. eta vs tors. theta energy: -4.465 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: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -42.695263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.695263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.695263 (E_RNA) where: Base-Base interactions energy: -19.122 where: short stacking energy: -19.122 Base-Backbone interact. energy: -0.003 local terms energy: -23.570208 where: bonds (distance) C4'-P energy: -4.930 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -1.308 tors. eta vs tors. theta energy: -2.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -51.630055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.630055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.630055 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -19.896 Base-Backbone interact. energy: -0.017 local terms energy: -31.637952 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.180 flat angles C4'-P-C4' energy: -8.017 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -5.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -76.312768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.312768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.312768 (E_RNA) where: Base-Base interactions energy: -39.913 where: short stacking energy: -22.736 Base-Backbone interact. energy: -0.355 local terms energy: -36.045253 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -4.733 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: 2, replica: 8 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -65.036043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.036043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.036043 (E_RNA) where: Base-Base interactions energy: -32.141 where: short stacking energy: -21.957 Base-Backbone interact. energy: -0.018 local terms energy: -32.876752 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -4.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -57.432140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.432140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.432140 (E_RNA) where: Base-Base interactions energy: -22.338 where: short stacking energy: -17.399 Base-Backbone interact. energy: -0.106 local terms energy: -34.987715 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -7.354 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: 4, replica: 5 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -64.268730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.268730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.268730 (E_RNA) where: Base-Base interactions energy: -29.230 where: short stacking energy: -22.017 Base-Backbone interact. energy: -0.208 local terms energy: -34.830683 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -3.155 tors. eta vs tors. theta energy: -8.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -52.741415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.741415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.741415 (E_RNA) where: Base-Base interactions energy: -23.963 where: short stacking energy: -23.963 Base-Backbone interact. energy: -0.000 local terms energy: -28.778371 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -5.565 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: 0.069 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: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -49.836207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.836207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.836207 (E_RNA) where: Base-Base interactions energy: -22.045 where: short stacking energy: -19.260 Base-Backbone interact. energy: -0.018 local terms energy: -27.772577 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -48.670117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.670117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.670117 (E_RNA) where: Base-Base interactions energy: -18.443 where: short stacking energy: -18.443 Base-Backbone interact. energy: -0.006 local terms energy: -30.220278 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.555 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -4.812 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: 8, replica: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -44.246216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.246216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.246216 (E_RNA) where: Base-Base interactions energy: -18.704 where: short stacking energy: -14.600 Base-Backbone interact. energy: -0.006 local terms energy: -25.536236 where: bonds (distance) C4'-P energy: -2.131 bonds (distance) P-C4' energy: -5.502 flat angles C4'-P-C4' energy: -5.716 flat angles P-C4'-P energy: -6.066 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: 9, replica: 3 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -46.482687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.482687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.482687 (E_RNA) where: Base-Base interactions energy: -15.705 where: short stacking energy: -12.686 Base-Backbone interact. energy: -0.002 local terms energy: -30.776396 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.532 tors. eta vs tors. theta energy: -3.082 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: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -44.779242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.779242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.779242 (E_RNA) where: Base-Base interactions energy: -16.591 where: short stacking energy: -16.200 Base-Backbone interact. energy: -0.036 local terms energy: -28.152484 where: bonds (distance) C4'-P energy: -5.816 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -2.520 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: 76 Temperature: 0.900000 Total energy: -80.217848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.217848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.217848 (E_RNA) where: Base-Base interactions energy: -46.036 where: short stacking energy: -27.959 Base-Backbone interact. energy: -0.694 local terms energy: -33.487895 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -7.102 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -5.289 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: 2, replica: 9 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -64.608094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.608094 (E_RNA) where: Base-Base interactions energy: -32.750 where: short stacking energy: -18.565 Base-Backbone interact. energy: -0.079 local terms energy: -31.778314 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -4.548 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: 3, replica: 5 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -55.982700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.982700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.982700 (E_RNA) where: Base-Base interactions energy: -22.386 where: short stacking energy: -22.386 Base-Backbone interact. energy: -0.000 local terms energy: -33.595945 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -4.089 flat angles P-C4'-P energy: -7.041 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: 4, replica: 7 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -52.637731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.637731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.637731 (E_RNA) where: Base-Base interactions energy: -22.102 where: short stacking energy: -22.102 Base-Backbone interact. energy: -0.038 local terms energy: -30.498336 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -1.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -52.308852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.308852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.308852 (E_RNA) where: Base-Base interactions energy: -22.102 where: short stacking energy: -22.102 Base-Backbone interact. energy: -0.008 local terms energy: -30.199006 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.660 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: 6, replica: 2 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -47.371034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.371034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.371034 (E_RNA) where: Base-Base interactions energy: -22.092 where: short stacking energy: -22.092 Base-Backbone interact. energy: -0.071 local terms energy: -25.208275 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -3.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -58.922458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.922458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.922458 (E_RNA) where: Base-Base interactions energy: -30.599 where: short stacking energy: -27.570 Base-Backbone interact. energy: -0.000 local terms energy: -28.323049 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -2.807 tors. eta vs tors. theta energy: -8.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -41.808904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.808904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.808904 (E_RNA) where: Base-Base interactions energy: -15.647 where: short stacking energy: -10.768 Base-Backbone interact. energy: -0.017 local terms energy: -26.144901 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -2.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -43.190711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.190711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.190711 (E_RNA) where: Base-Base interactions energy: -15.989 where: short stacking energy: -15.761 Base-Backbone interact. energy: 1.532 local terms energy: -28.734211 where: bonds (distance) C4'-P energy: -2.909 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -9.142 flat angles P-C4'-P energy: -3.426 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: 10, replica: 3 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -43.017978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.017978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.017978 (E_RNA) where: Base-Base interactions energy: -14.770 where: short stacking energy: -14.770 Base-Backbone interact. energy: -0.009 local terms energy: -28.239334 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.340 flat angles P-C4'-P energy: -5.148 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: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -60.200571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.200571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.200571 (E_RNA) where: Base-Base interactions energy: -26.029 where: short stacking energy: -26.029 Base-Backbone interact. energy: -0.015 local terms energy: -34.156998 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -3.394 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: 2, replica: 5 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -59.654138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.654138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.654138 (E_RNA) where: Base-Base interactions energy: -25.700 where: short stacking energy: -18.575 Base-Backbone interact. energy: -0.000 local terms energy: -33.953673 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -5.694 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: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -71.037035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.037035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.037035 (E_RNA) where: Base-Base interactions energy: -34.968 where: short stacking energy: -26.704 Base-Backbone interact. energy: -0.003 local terms energy: -36.066352 where: bonds (distance) C4'-P energy: -6.616 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -6.174 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: 4, replica: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -56.590986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.590986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.590986 (E_RNA) where: Base-Base interactions energy: -25.000 where: short stacking energy: -25.000 Base-Backbone interact. energy: -0.069 local terms energy: -31.521470 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -9.334 flat angles P-C4'-P energy: -3.819 tors. eta vs tors. theta energy: -4.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -49.700345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.700345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.700345 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.004 local terms energy: -29.613425 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -44.336946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.336946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.336946 (E_RNA) where: Base-Base interactions energy: -14.807 where: short stacking energy: -13.776 Base-Backbone interact. energy: -0.018 local terms energy: -29.511971 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -43.699704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.699704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.699704 (E_RNA) where: Base-Base interactions energy: -17.907 where: short stacking energy: -17.907 Base-Backbone interact. energy: -0.173 local terms energy: -25.619042 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -4.271 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -1.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -44.017158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.017158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.017158 (E_RNA) where: Base-Base interactions energy: -15.579 where: short stacking energy: -12.540 Base-Backbone interact. energy: -0.044 local terms energy: -28.394300 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.829 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -2.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -47.114341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.114341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.114341 (E_RNA) where: Base-Base interactions energy: -20.324 where: short stacking energy: -20.324 Base-Backbone interact. energy: -0.102 local terms energy: -26.688416 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -3.044 flat angles P-C4'-P energy: -2.962 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: 10, replica: 3 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -42.669464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.669464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.669464 (E_RNA) where: Base-Base interactions energy: -13.232 where: short stacking energy: -12.424 Base-Backbone interact. energy: -0.157 local terms energy: -29.280830 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -5.301 tors. eta vs tors. theta energy: -2.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -67.197615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.197615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.197615 (E_RNA) where: Base-Base interactions energy: -31.683 where: short stacking energy: -29.497 Base-Backbone interact. energy: -0.039 local terms energy: -35.474886 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -6.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -74.194171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.194171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.194171 (E_RNA) where: Base-Base interactions energy: -38.831 where: short stacking energy: -24.173 Base-Backbone interact. energy: 0.116 local terms energy: -35.479257 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -9.023 flat angles P-C4'-P energy: -5.691 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: 3, replica: 6 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -62.347729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.347729 (E_RNA) where: Base-Base interactions energy: -30.271 where: short stacking energy: -30.271 Base-Backbone interact. energy: -0.004 local terms energy: -32.073006 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -6.225 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: 4, replica: 9 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -63.738654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.738654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.738654 (E_RNA) where: Base-Base interactions energy: -28.655 where: short stacking energy: -21.708 Base-Backbone interact. energy: -0.000 local terms energy: -35.083850 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -7.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -62.032594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.032594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.032594 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: -0.000 local terms energy: -38.627331 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -8.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -53.615721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.615721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.615721 (E_RNA) where: Base-Base interactions energy: -25.523 where: short stacking energy: -21.982 Base-Backbone interact. energy: -0.395 local terms energy: -27.697851 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -0.078 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: 7, replica: 4 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -46.370469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.370469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.370469 (E_RNA) where: Base-Base interactions energy: -19.593 where: short stacking energy: -19.593 Base-Backbone interact. energy: -0.054 local terms energy: -26.722734 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -0.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -46.430347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.430347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.430347 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -6.994 Base-Backbone interact. energy: -0.000 local terms energy: -33.435802 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -5.207 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: 9, replica: 3 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -40.200851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.200851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.200851 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.671 Base-Backbone interact. energy: -0.158 local terms energy: -27.371631 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -2.594 tors. eta vs tors. theta energy: -2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -51.379207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.379207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.379207 (E_RNA) where: Base-Base interactions energy: -23.386 where: short stacking energy: -22.294 Base-Backbone interact. energy: -0.077 local terms energy: -27.916833 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -4.658 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: 1, replica: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -65.732657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.732657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.732657 (E_RNA) where: Base-Base interactions energy: -28.925 where: short stacking energy: -25.571 Base-Backbone interact. energy: -0.064 local terms energy: -36.743626 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -5.265 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: 2, replica: 6 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -70.340769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.340769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.340769 (E_RNA) where: Base-Base interactions energy: -38.797 where: short stacking energy: -27.959 Base-Backbone interact. energy: -0.027 local terms energy: -31.516706 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -5.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -69.620108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.620108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.620108 (E_RNA) where: Base-Base interactions energy: -35.316 where: short stacking energy: -27.915 Base-Backbone interact. energy: -0.071 local terms energy: -34.232933 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -5.630 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: 4, replica: 7 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -57.622109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.622109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.622109 (E_RNA) where: Base-Base interactions energy: -24.829 where: short stacking energy: -17.225 Base-Backbone interact. energy: -0.002 local terms energy: -32.791150 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -4.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -57.194764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.194764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.194764 (E_RNA) where: Base-Base interactions energy: -21.394 where: short stacking energy: -17.811 Base-Backbone interact. energy: -0.047 local terms energy: -35.754154 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -6.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -64.445874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.445874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.445874 (E_RNA) where: Base-Base interactions energy: -29.695 where: short stacking energy: -29.695 Base-Backbone interact. energy: -0.000 local terms energy: -34.750891 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -4.195 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: 7, replica: 1 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -42.943269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.943269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.943269 (E_RNA) where: Base-Base interactions energy: -17.919 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.015 local terms energy: -25.009645 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -4.757 flat angles P-C4'-P energy: -3.303 tors. eta vs tors. theta energy: -4.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -43.853171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.853171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.853171 (E_RNA) where: Base-Base interactions energy: -17.147 where: short stacking energy: -17.147 Base-Backbone interact. energy: -0.036 local terms energy: -26.669655 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -3.087 tors. eta vs tors. theta energy: -1.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -48.773769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.773769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.773769 (E_RNA) where: Base-Base interactions energy: -20.957 where: short stacking energy: -20.957 Base-Backbone interact. energy: -0.003 local terms energy: -27.813159 where: bonds (distance) C4'-P energy: -4.640 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.153 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -6.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -39.644672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.644672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.644672 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.072 local terms energy: -26.893703 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -5.048 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -75.434708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.434708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.434708 (E_RNA) where: Base-Base interactions energy: -40.887 where: short stacking energy: -23.628 Base-Backbone interact. energy: -0.005 local terms energy: -34.542077 where: bonds (distance) C4'-P energy: -7.121 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -8.780 flat angles P-C4'-P energy: -5.536 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: 2, replica: 5 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -62.745273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.745273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.745273 (E_RNA) where: Base-Base interactions energy: -27.323 where: short stacking energy: -27.323 Base-Backbone interact. energy: -0.024 local terms energy: -35.398042 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -9.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -54.214187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.214187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.214187 (E_RNA) where: Base-Base interactions energy: -23.558 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.135 local terms energy: -30.520937 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -3.094 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: 4, replica: 8 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -62.464048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.464048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.464048 (E_RNA) where: Base-Base interactions energy: -29.515 where: short stacking energy: -20.050 Base-Backbone interact. energy: -0.000 local terms energy: -32.948637 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -5.060 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: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -53.337263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.337263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.337263 (E_RNA) where: Base-Base interactions energy: -20.522 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.016 local terms energy: -32.799166 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -4.277 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: 6, replica: 9 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -55.618184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.618184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.618184 (E_RNA) where: Base-Base interactions energy: -26.810 where: short stacking energy: -17.121 Base-Backbone interact. energy: -0.815 local terms energy: -27.993618 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -45.799359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.799359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.799359 (E_RNA) where: Base-Base interactions energy: -15.132 where: short stacking energy: -15.132 Base-Backbone interact. energy: 0.211 local terms energy: -30.878065 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -6.121 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: 8, replica: 1 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -50.479227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.479227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.479227 (E_RNA) where: Base-Base interactions energy: -23.711 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.000 local terms energy: -26.767898 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -6.969 flat angles C4'-P-C4' energy: -3.304 flat angles P-C4'-P energy: -4.104 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: 9, replica: 10 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -37.035217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.035217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.035217 (E_RNA) where: Base-Base interactions energy: -12.131 where: short stacking energy: -11.836 Base-Backbone interact. energy: -0.250 local terms energy: -24.654255 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -6.471 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -38.302664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.302664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.302664 (E_RNA) where: Base-Base interactions energy: -16.736 where: short stacking energy: -16.736 Base-Backbone interact. energy: -0.037 local terms energy: -21.529407 where: bonds (distance) C4'-P energy: -1.697 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.222 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: 1, replica: 6 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -77.109516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.109516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.109516 (E_RNA) where: Base-Base interactions energy: -43.509 where: short stacking energy: -26.474 Base-Backbone interact. energy: -0.002 local terms energy: -33.598503 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -5.727 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -61.638448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.638448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.638448 (E_RNA) where: Base-Base interactions energy: -28.616 where: short stacking energy: -28.533 Base-Backbone interact. energy: -0.001 local terms energy: -33.021446 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -4.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -64.810117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.810117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.810117 (E_RNA) where: Base-Base interactions energy: -31.384 where: short stacking energy: -28.344 Base-Backbone interact. energy: -0.013 local terms energy: -33.413271 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -3.582 tors. eta vs tors. theta energy: -8.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -50.944219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.944219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.944219 (E_RNA) where: Base-Base interactions energy: -25.090 where: short stacking energy: -12.483 Base-Backbone interact. energy: -0.071 local terms energy: -25.783728 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.415 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: 5, replica: 8 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -40.067464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.067464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.067464 (E_RNA) where: Base-Base interactions energy: -14.426 where: short stacking energy: -14.426 Base-Backbone interact. energy: -0.013 local terms energy: -25.628938 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: 2.180 tors. eta vs tors. theta energy: -2.167 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: 3 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -51.567757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.567757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.567757 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.001 local terms energy: -30.402770 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -3.611 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: 7, replica: 9 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -48.039020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.039020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.039020 (E_RNA) where: Base-Base interactions energy: -19.186 where: short stacking energy: -19.186 Base-Backbone interact. energy: -0.100 local terms energy: -28.752333 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -6.387 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -4.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -58.825650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.825650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.825650 (E_RNA) where: Base-Base interactions energy: -31.353 where: short stacking energy: -17.241 Base-Backbone interact. energy: -0.000 local terms energy: -27.471726 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.044 flat angles C4'-P-C4' energy: -5.201 flat angles P-C4'-P energy: -4.001 tors. eta vs tors. theta energy: -4.141 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: 1 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -43.772643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.772643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.772643 (E_RNA) where: Base-Base interactions energy: -16.790 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.093 local terms energy: -26.889836 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -4.200 flat angles C4'-P-C4' energy: -6.528 flat angles P-C4'-P energy: -5.465 tors. eta vs tors. theta energy: -3.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -38.074944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.074944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.074944 (E_RNA) where: Base-Base interactions energy: -11.988 where: short stacking energy: -8.650 Base-Backbone interact. energy: -0.042 local terms energy: -26.045076 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: 0.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -74.649519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.649519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.649519 (E_RNA) where: Base-Base interactions energy: -40.249 where: short stacking energy: -29.243 Base-Backbone interact. energy: -0.330 local terms energy: -34.070090 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.859 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: 6 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -69.475944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.475944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.475944 (E_RNA) where: Base-Base interactions energy: -31.822 where: short stacking energy: -22.963 Base-Backbone interact. energy: -0.008 local terms energy: -37.646732 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -6.385 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -63.572293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.572293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.572293 (E_RNA) where: Base-Base interactions energy: -29.000 where: short stacking energy: -29.000 Base-Backbone interact. energy: -0.001 local terms energy: -34.572088 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -4.817 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: 4, replica: 7 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -62.001546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.001546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.001546 (E_RNA) where: Base-Base interactions energy: -33.935 where: short stacking energy: -21.970 Base-Backbone interact. energy: -0.112 local terms energy: -27.954585 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -2.588 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -6.214 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: 5, replica: 3 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -54.034831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.034831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.034831 (E_RNA) where: Base-Base interactions energy: -23.237 where: short stacking energy: -23.237 Base-Backbone interact. energy: -0.085 local terms energy: -30.712416 where: bonds (distance) C4'-P energy: -6.493 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -4.016 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: 6, replica: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -59.476987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.476987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.476987 (E_RNA) where: Base-Base interactions energy: -29.147 where: short stacking energy: -19.015 Base-Backbone interact. energy: -1.018 local terms energy: -29.312042 where: bonds (distance) C4'-P energy: -2.562 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -5.297 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: 7, replica: 10 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -49.828880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.828880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.828880 (E_RNA) where: Base-Base interactions energy: -26.971 where: short stacking energy: -24.433 Base-Backbone interact. energy: -0.061 local terms energy: -22.796503 where: bonds (distance) C4'-P energy: -2.592 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.563 tors. eta vs tors. theta energy: -2.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -45.107015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.107015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.107015 (E_RNA) where: Base-Base interactions energy: -12.909 where: short stacking energy: -12.909 Base-Backbone interact. energy: -0.000 local terms energy: -32.198259 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -3.634 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: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -40.274492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.274492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.274492 (E_RNA) where: Base-Base interactions energy: -14.211 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.003 local terms energy: -26.061099 where: bonds (distance) C4'-P energy: -3.536 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -3.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -46.120203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.120203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.120203 (E_RNA) where: Base-Base interactions energy: -15.861 where: short stacking energy: -15.861 Base-Backbone interact. energy: -0.198 local terms energy: -30.061594 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -74.591175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.591175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.591175 (E_RNA) where: Base-Base interactions energy: -41.694 where: short stacking energy: -22.313 Base-Backbone interact. energy: -0.064 local terms energy: -32.833176 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -6.226 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -5.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -67.669995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.669995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.669995 (E_RNA) where: Base-Base interactions energy: -35.310 where: short stacking energy: -24.922 Base-Backbone interact. energy: -0.003 local terms energy: -32.356381 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.144 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: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -60.517301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.517301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.517301 (E_RNA) where: Base-Base interactions energy: -24.032 where: short stacking energy: -24.032 Base-Backbone interact. energy: -0.000 local terms energy: -36.485318 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.712 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -51.662710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.662710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.662710 (E_RNA) where: Base-Base interactions energy: -19.829 where: short stacking energy: -19.829 Base-Backbone interact. energy: 0.145 local terms energy: -31.978376 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -6.339 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: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -60.075871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.075871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.075871 (E_RNA) where: Base-Base interactions energy: -29.589 where: short stacking energy: -17.968 Base-Backbone interact. energy: -0.002 local terms energy: -30.484337 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -46.256137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.256137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.256137 (E_RNA) where: Base-Base interactions energy: -23.519 where: short stacking energy: -23.519 Base-Backbone interact. energy: -0.028 local terms energy: -22.709019 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -5.450 flat angles C4'-P-C4' energy: -4.979 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -4.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -49.579925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.579925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.579925 (E_RNA) where: Base-Base interactions energy: -23.522 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.003 local terms energy: -26.054893 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -2.110 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -42.948427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.948427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.948427 (E_RNA) where: Base-Base interactions energy: -12.432 where: short stacking energy: -12.432 Base-Backbone interact. energy: 0.031 local terms energy: -30.547364 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.135 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -36.442239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.442239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.442239 (E_RNA) where: Base-Base interactions energy: -10.555 where: short stacking energy: -10.555 Base-Backbone interact. energy: -0.101 local terms energy: -25.786828 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -40.634255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.634255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.634255 (E_RNA) where: Base-Base interactions energy: -14.252 where: short stacking energy: -14.252 Base-Backbone interact. energy: 1.113 local terms energy: -27.495390 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -6.926 flat angles P-C4'-P energy: -3.197 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -61.469399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.469399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.469399 (E_RNA) where: Base-Base interactions energy: -25.486 where: short stacking energy: -23.109 Base-Backbone interact. energy: -0.019 local terms energy: -35.963767 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -5.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -64.379743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.379743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.379743 (E_RNA) where: Base-Base interactions energy: -30.053 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.007 local terms energy: -34.319471 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.789 tors. eta vs tors. theta energy: -6.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -61.049444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.049444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.049444 (E_RNA) where: Base-Base interactions energy: -25.401 where: short stacking energy: -25.401 Base-Backbone interact. energy: -0.000 local terms energy: -35.648622 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -7.086 tors. eta vs tors. theta energy: -7.451 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: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -56.691245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.691245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.691245 (E_RNA) where: Base-Base interactions energy: -26.068 where: short stacking energy: -18.232 Base-Backbone interact. energy: -0.086 local terms energy: -30.536354 where: bonds (distance) C4'-P energy: -4.944 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.639 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -5.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -53.571690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.571690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.571690 (E_RNA) where: Base-Base interactions energy: -20.282 where: short stacking energy: -20.282 Base-Backbone interact. energy: -0.036 local terms energy: -33.252899 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -6.547 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: 6, replica: 7 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -50.013530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.013530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.013530 (E_RNA) where: Base-Base interactions energy: -18.967 where: short stacking energy: -18.967 Base-Backbone interact. energy: -0.000 local terms energy: -31.046027 where: bonds (distance) C4'-P energy: -3.060 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -7.654 tors. eta vs tors. theta energy: -7.589 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: 2 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -54.393456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.393456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.393456 (E_RNA) where: Base-Base interactions energy: -25.115 where: short stacking energy: -24.924 Base-Backbone interact. energy: -0.000 local terms energy: -29.277869 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -2.176 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: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -49.412847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.412847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.412847 (E_RNA) where: Base-Base interactions energy: -26.993 where: short stacking energy: -12.663 Base-Backbone interact. energy: 0.593 local terms energy: -23.013640 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -2.806 flat angles P-C4'-P energy: -4.709 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: 9, replica: 1 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -46.310163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.310163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.310163 (E_RNA) where: Base-Base interactions energy: -14.590 where: short stacking energy: -14.890 Base-Backbone interact. energy: -0.062 local terms energy: -31.658832 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -2.904 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -47.585787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.585787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.585787 (E_RNA) where: Base-Base interactions energy: -16.262 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.000 local terms energy: -31.323625 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -5.948 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -65.015482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.015482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.015482 (E_RNA) where: Base-Base interactions energy: -29.343 where: short stacking energy: -27.878 Base-Backbone interact. energy: -0.000 local terms energy: -35.672475 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -6.371 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: 2, replica: 4 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -68.972169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.972169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.972169 (E_RNA) where: Base-Base interactions energy: -31.736 where: short stacking energy: -30.323 Base-Backbone interact. energy: -0.019 local terms energy: -37.217491 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -7.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -57.053471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.053471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.053471 (E_RNA) where: Base-Base interactions energy: -25.857 where: short stacking energy: -20.430 Base-Backbone interact. energy: -0.076 local terms energy: -31.120864 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -59.022994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.022994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.022994 (E_RNA) where: Base-Base interactions energy: -26.665 where: short stacking energy: -26.665 Base-Backbone interact. energy: 0.209 local terms energy: -32.567101 where: bonds (distance) C4'-P energy: -4.678 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -5.464 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: 5, replica: 10 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -58.021508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.021508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.021508 (E_RNA) where: Base-Base interactions energy: -21.387 where: short stacking energy: -21.387 Base-Backbone interact. energy: -0.001 local terms energy: -36.633230 where: bonds (distance) C4'-P energy: -8.126 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -4.987 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: 6, replica: 2 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -52.720048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.720048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.720048 (E_RNA) where: Base-Base interactions energy: -22.397 where: short stacking energy: -18.346 Base-Backbone interact. energy: -0.041 local terms energy: -30.282308 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -45.861844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.861844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.861844 (E_RNA) where: Base-Base interactions energy: -14.899 where: short stacking energy: -14.899 Base-Backbone interact. energy: -0.006 local terms energy: -30.957626 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.456 tors. eta vs tors. theta energy: -4.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -52.939846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.939846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.939846 (E_RNA) where: Base-Base interactions energy: -21.506 where: short stacking energy: -21.506 Base-Backbone interact. energy: -0.062 local terms energy: -31.371737 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -4.262 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -6.715 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: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -53.282825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.282825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.282825 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.001 local terms energy: -31.475408 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -48.349591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.349591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.349591 (E_RNA) where: Base-Base interactions energy: -19.607 where: short stacking energy: -19.607 Base-Backbone interact. energy: 0.885 local terms energy: -29.627692 where: bonds (distance) C4'-P energy: -2.729 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -3.631 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: 1, replica: 4 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -62.102571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.102571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.102571 (E_RNA) where: Base-Base interactions energy: -22.895 where: short stacking energy: -22.895 Base-Backbone interact. energy: -0.000 local terms energy: -39.207286 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -3.954 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: 2, replica: 6 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -63.551858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.551858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.551858 (E_RNA) where: Base-Base interactions energy: -26.175 where: short stacking energy: -26.175 Base-Backbone interact. energy: -0.000 local terms energy: -37.377043 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.363 flat angles P-C4'-P energy: -4.427 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: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -70.231299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.231299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.231299 (E_RNA) where: Base-Base interactions energy: -35.160 where: short stacking energy: -15.457 Base-Backbone interact. energy: -1.264 local terms energy: -33.806810 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.537 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -58.838280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.838280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.838280 (E_RNA) where: Base-Base interactions energy: -21.855 where: short stacking energy: -21.855 Base-Backbone interact. energy: -0.000 local terms energy: -36.983477 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -9.141 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: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -50.626654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.626654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.626654 (E_RNA) where: Base-Base interactions energy: -20.350 where: short stacking energy: -19.603 Base-Backbone interact. energy: -0.016 local terms energy: -30.260685 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -5.347 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -6.420 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: 2 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -43.988065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.988065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.988065 (E_RNA) where: Base-Base interactions energy: -16.693 where: short stacking energy: -16.693 Base-Backbone interact. energy: 0.278 local terms energy: -27.572964 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.475 flat angles P-C4'-P energy: -7.171 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: 7, replica: 1 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -48.578108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.578108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.578108 (E_RNA) where: Base-Base interactions energy: -15.567 where: short stacking energy: -14.794 Base-Backbone interact. energy: -0.111 local terms energy: -32.900100 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -9.015 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -51.769515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.769515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.769515 (E_RNA) where: Base-Base interactions energy: -20.473 where: short stacking energy: -19.272 Base-Backbone interact. energy: -0.001 local terms energy: -31.296447 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -5.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -38.005113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.005113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.005113 (E_RNA) where: Base-Base interactions energy: -11.466 where: short stacking energy: -11.466 Base-Backbone interact. energy: -0.040 local terms energy: -26.498904 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.511 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: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -40.962563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.962563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.962563 (E_RNA) where: Base-Base interactions energy: -13.189 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.100 local terms energy: -27.672711 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -68.366522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.366522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.366522 (E_RNA) where: Base-Base interactions energy: -38.813 where: short stacking energy: -23.732 Base-Backbone interact. energy: -0.394 local terms energy: -29.159983 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -3.501 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: 2, replica: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -72.179543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.179543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.179543 (E_RNA) where: Base-Base interactions energy: -39.606 where: short stacking energy: -25.926 Base-Backbone interact. energy: -0.101 local terms energy: -32.472336 where: bonds (distance) C4'-P energy: -4.966 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -3.937 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: 3, replica: 6 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -52.615780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.615780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.615780 (E_RNA) where: Base-Base interactions energy: -19.700 where: short stacking energy: -19.700 Base-Backbone interact. energy: -0.019 local terms energy: -32.896722 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -6.370 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -4.091 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: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -61.516922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.516922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.516922 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -25.569 Base-Backbone interact. energy: -0.634 local terms energy: -32.926685 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -7.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -49.466446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.466446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.466446 (E_RNA) where: Base-Base interactions energy: -20.011 where: short stacking energy: -20.011 Base-Backbone interact. energy: -0.073 local terms energy: -29.382303 where: bonds (distance) C4'-P energy: -5.613 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -2.138 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: 6, replica: 1 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -50.231744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.231744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.231744 (E_RNA) where: Base-Base interactions energy: -17.188 where: short stacking energy: -17.188 Base-Backbone interact. energy: -0.098 local terms energy: -32.945227 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -2.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -46.217376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.217376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.217376 (E_RNA) where: Base-Base interactions energy: -21.148 where: short stacking energy: -13.732 Base-Backbone interact. energy: -0.043 local terms energy: -25.026761 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -6.455 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: 8, replica: 9 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -41.272108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.272108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.272108 (E_RNA) where: Base-Base interactions energy: -15.400 where: short stacking energy: -5.718 Base-Backbone interact. energy: -0.124 local terms energy: -25.748198 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -0.788 flat angles P-C4'-P energy: -5.570 tors. eta vs tors. theta energy: -2.860 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: 87 Temperature: 1.300000 Total energy: -42.407246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.407246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.407246 (E_RNA) where: Base-Base interactions energy: -17.633 where: short stacking energy: -17.633 Base-Backbone interact. energy: -0.010 local terms energy: -24.764653 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.341 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -1.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -39.355642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.355642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.355642 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.023 local terms energy: -25.733517 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -3.754 tors. eta vs tors. theta energy: -0.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -67.646000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.646000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.646000 (E_RNA) where: Base-Base interactions energy: -38.460 where: short stacking energy: -22.768 Base-Backbone interact. energy: 0.382 local terms energy: -29.568152 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -3.302 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: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -61.680243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.680243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.680243 (E_RNA) where: Base-Base interactions energy: -33.601 where: short stacking energy: -26.682 Base-Backbone interact. energy: -0.001 local terms energy: -28.077863 where: bonds (distance) C4'-P energy: -2.095 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -6.065 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: 3, replica: 10 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -63.493081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.493081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.493081 (E_RNA) where: Base-Base interactions energy: -27.426 where: short stacking energy: -27.426 Base-Backbone interact. energy: -0.000 local terms energy: -36.066739 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.150 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -8.938 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: 4, replica: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -59.388219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.388219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.388219 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.061 local terms energy: -34.810777 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -6.728 tors. eta vs tors. theta energy: -5.608 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: 1 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -48.925036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.925036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.925036 (E_RNA) where: Base-Base interactions energy: -17.488 where: short stacking energy: -13.876 Base-Backbone interact. energy: -0.000 local terms energy: -31.436781 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -51.647637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.647637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.647637 (E_RNA) where: Base-Base interactions energy: -20.762 where: short stacking energy: -20.762 Base-Backbone interact. energy: -0.087 local terms energy: -30.798621 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -3.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -46.870358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.870358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.870358 (E_RNA) where: Base-Base interactions energy: -15.660 where: short stacking energy: -15.962 Base-Backbone interact. energy: -0.000 local terms energy: -31.210514 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -43.219806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.219806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.219806 (E_RNA) where: Base-Base interactions energy: -18.359 where: short stacking energy: -18.359 Base-Backbone interact. energy: -0.070 local terms energy: -24.790800 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -3.485 tors. eta vs tors. theta energy: -2.242 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: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -45.366022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.366022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.366022 (E_RNA) where: Base-Base interactions energy: -13.095 where: short stacking energy: -11.949 Base-Backbone interact. energy: -0.000 local terms energy: -32.271032 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.250 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -4.029 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: 7 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -40.826290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.826290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.826290 (E_RNA) where: Base-Base interactions energy: -15.978 where: short stacking energy: -15.769 Base-Backbone interact. energy: -0.445 local terms energy: -24.402914 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -1.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -69.411662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.411662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.411662 (E_RNA) where: Base-Base interactions energy: -37.509 where: short stacking energy: -27.990 Base-Backbone interact. energy: -0.016 local terms energy: -31.886081 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -4.295 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: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -64.246725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.246725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.246725 (E_RNA) where: Base-Base interactions energy: -29.726 where: short stacking energy: -29.651 Base-Backbone interact. energy: -0.004 local terms energy: -34.516017 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -55.863166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.863166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.863166 (E_RNA) where: Base-Base interactions energy: -21.316 where: short stacking energy: -21.316 Base-Backbone interact. energy: -0.003 local terms energy: -34.544280 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -6.292 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: 4, replica: 1 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -56.206157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.206157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.206157 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -21.434 Base-Backbone interact. energy: -0.000 local terms energy: -34.772051 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -45.920322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.920322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.920322 (E_RNA) where: Base-Base interactions energy: -15.527 where: short stacking energy: -15.385 Base-Backbone interact. energy: -0.149 local terms energy: -30.244626 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -4.568 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: 6, replica: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -47.367009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.367009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.367009 (E_RNA) where: Base-Base interactions energy: -14.626 where: short stacking energy: -14.626 Base-Backbone interact. energy: -0.098 local terms energy: -32.642997 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -4.528 flat angles C4'-P-C4' energy: -9.380 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -49.753934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.753934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.753934 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -8.955 Base-Backbone interact. energy: 0.298 local terms energy: -26.583193 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -4.512 tors. eta vs tors. theta energy: -1.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -54.633339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.633339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.633339 (E_RNA) where: Base-Base interactions energy: -21.453 where: short stacking energy: -15.684 Base-Backbone interact. energy: -0.000 local terms energy: -33.180054 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -3.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -43.443541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.443541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.443541 (E_RNA) where: Base-Base interactions energy: -19.486 where: short stacking energy: -10.684 Base-Backbone interact. energy: 0.623 local terms energy: -24.580581 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.385 flat angles P-C4'-P energy: -1.722 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: 10, replica: 7 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -40.607556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.607556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.607556 (E_RNA) where: Base-Base interactions energy: -11.409 where: short stacking energy: -11.160 Base-Backbone interact. energy: -0.005 local terms energy: -29.192819 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -4.855 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -76.483848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.483848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.483848 (E_RNA) where: Base-Base interactions energy: -39.867 where: short stacking energy: -28.618 Base-Backbone interact. energy: -0.000 local terms energy: -36.616956 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -4.272 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: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -66.160251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.160251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.160251 (E_RNA) where: Base-Base interactions energy: -28.507 where: short stacking energy: -28.507 Base-Backbone interact. energy: -0.000 local terms energy: -37.652650 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -8.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -63.687334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.687334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.687334 (E_RNA) where: Base-Base interactions energy: -27.639 where: short stacking energy: -27.639 Base-Backbone interact. energy: -0.000 local terms energy: -36.048133 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -4.267 tors. eta vs tors. theta energy: -10.484 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: 10 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -64.306141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.306141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.306141 (E_RNA) where: Base-Base interactions energy: -28.188 where: short stacking energy: -28.188 Base-Backbone interact. energy: -0.003 local terms energy: -36.115038 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -5.764 flat angles C4'-P-C4' energy: -7.918 flat angles P-C4'-P energy: -7.620 tors. eta vs tors. theta energy: -9.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -57.306765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.306765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.306765 (E_RNA) where: Base-Base interactions energy: -32.714 where: short stacking energy: -18.482 Base-Backbone interact. energy: -0.046 local terms energy: -24.546811 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -49.284322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.284322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.284322 (E_RNA) where: Base-Base interactions energy: -19.946 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.025 local terms energy: -29.313588 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.664 flat angles P-C4'-P energy: -4.662 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -49.463136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.463136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.463136 (E_RNA) where: Base-Base interactions energy: -19.356 where: short stacking energy: -7.755 Base-Backbone interact. energy: -0.441 local terms energy: -29.666854 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -4.179 tors. eta vs tors. theta energy: -0.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -46.124247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.124247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.124247 (E_RNA) where: Base-Base interactions energy: -17.166 where: short stacking energy: -17.166 Base-Backbone interact. energy: -0.027 local terms energy: -28.931240 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.440 flat angles P-C4'-P energy: -4.489 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: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -41.384058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.384058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.384058 (E_RNA) where: Base-Base interactions energy: -12.942 where: short stacking energy: -12.942 Base-Backbone interact. energy: -0.000 local terms energy: -28.442103 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -41.246107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.246107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.246107 (E_RNA) where: Base-Base interactions energy: -15.438 where: short stacking energy: -9.728 Base-Backbone interact. energy: -0.097 local terms energy: -25.710772 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -4.302 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -3.726 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: 1, replica: 4 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -72.902108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.902108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.902108 (E_RNA) where: Base-Base interactions energy: -44.443 where: short stacking energy: -32.423 Base-Backbone interact. energy: -0.000 local terms energy: -28.458887 where: bonds (distance) C4'-P energy: -0.484 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -4.572 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -9.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -69.381637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.381637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.381637 (E_RNA) where: Base-Base interactions energy: -32.579 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.000 local terms energy: -36.802062 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -58.598925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.598925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.598925 (E_RNA) where: Base-Base interactions energy: -24.174 where: short stacking energy: -24.174 Base-Backbone interact. energy: -0.000 local terms energy: -34.424835 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -6.376 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: 4, replica: 6 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -62.728645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.728645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.728645 (E_RNA) where: Base-Base interactions energy: -33.178 where: short stacking energy: -18.757 Base-Backbone interact. energy: -0.008 local terms energy: -29.543399 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.623 flat angles P-C4'-P energy: 2.256 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: 5, replica: 10 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -50.830647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.830647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.830647 (E_RNA) where: Base-Base interactions energy: -22.208 where: short stacking energy: -22.208 Base-Backbone interact. energy: -0.000 local terms energy: -28.622128 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -4.525 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: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -47.831212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.831212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.831212 (E_RNA) where: Base-Base interactions energy: -17.282 where: short stacking energy: -13.873 Base-Backbone interact. energy: -0.091 local terms energy: -30.457973 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -4.826 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: 8 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -47.061811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.061811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.061811 (E_RNA) where: Base-Base interactions energy: -17.016 where: short stacking energy: -17.016 Base-Backbone interact. energy: -0.021 local terms energy: -30.025262 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -6.484 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: 8, replica: 7 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -42.728481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.728481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.728481 (E_RNA) where: Base-Base interactions energy: -13.326 where: short stacking energy: -13.326 Base-Backbone interact. energy: -0.000 local terms energy: -29.402710 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.901 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -43.472048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.472048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.472048 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.226 local terms energy: -28.917600 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -3.807 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: 2 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -50.052611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.052611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.052611 (E_RNA) where: Base-Base interactions energy: -21.590 where: short stacking energy: -20.875 Base-Backbone interact. energy: -0.003 local terms energy: -28.459602 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.605 flat angles P-C4'-P energy: 0.536 tors. eta vs tors. theta energy: -6.421 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: 1, replica: 4 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -76.514836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.514836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.514836 (E_RNA) where: Base-Base interactions energy: -39.821 where: short stacking energy: -23.483 Base-Backbone interact. energy: -0.005 local terms energy: -36.689508 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -5.911 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: 2, replica: 1 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -64.210499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.210499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.210499 (E_RNA) where: Base-Base interactions energy: -27.633 where: short stacking energy: -24.029 Base-Backbone interact. energy: -0.004 local terms energy: -36.572956 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -5.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -59.958537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.958537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.958537 (E_RNA) where: Base-Base interactions energy: -27.238 where: short stacking energy: -26.360 Base-Backbone interact. energy: -0.164 local terms energy: -32.556659 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -2.765 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -55.935280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.935280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.935280 (E_RNA) where: Base-Base interactions energy: -23.842 where: short stacking energy: -23.842 Base-Backbone interact. energy: 0.521 local terms energy: -32.614748 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -5.540 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -6.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -52.684459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.684459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.684459 (E_RNA) where: Base-Base interactions energy: -19.882 where: short stacking energy: -19.882 Base-Backbone interact. energy: -0.000 local terms energy: -32.802494 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -6.519 tors. eta vs tors. theta energy: -4.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -47.484090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.484090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.484090 (E_RNA) where: Base-Base interactions energy: -15.049 where: short stacking energy: -15.049 Base-Backbone interact. energy: -0.089 local terms energy: -32.345801 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -6.088 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -44.639428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.639428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.639428 (E_RNA) where: Base-Base interactions energy: -16.348 where: short stacking energy: -16.348 Base-Backbone interact. energy: -0.222 local terms energy: -28.069482 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -4.123 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -45.604963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.604963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.604963 (E_RNA) where: Base-Base interactions energy: -15.040 where: short stacking energy: -15.040 Base-Backbone interact. energy: -0.012 local terms energy: -30.552452 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -3.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -42.525965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.525965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.525965 (E_RNA) where: Base-Base interactions energy: -14.941 where: short stacking energy: -14.941 Base-Backbone interact. energy: -0.099 local terms energy: -27.485386 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -40.409788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.409788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.409788 (E_RNA) where: Base-Base interactions energy: -10.784 where: short stacking energy: -10.784 Base-Backbone interact. energy: -0.023 local terms energy: -29.603279 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -2.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -70.831625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.831625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.831625 (E_RNA) where: Base-Base interactions energy: -35.587 where: short stacking energy: -25.028 Base-Backbone interact. energy: 0.654 local terms energy: -35.898665 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -4.673 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: 2, replica: 6 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -69.165473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.165473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.165473 (E_RNA) where: Base-Base interactions energy: -34.386 where: short stacking energy: -27.209 Base-Backbone interact. energy: -0.023 local terms energy: -34.757277 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -6.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -59.256838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.256838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.256838 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.006 local terms energy: -34.053263 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -8.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -57.791734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.791734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.791734 (E_RNA) where: Base-Base interactions energy: -27.801 where: short stacking energy: -27.801 Base-Backbone interact. energy: -0.000 local terms energy: -29.990414 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.829 flat angles P-C4'-P energy: -5.112 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: 5, replica: 3 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -60.077712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.077712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.077712 (E_RNA) where: Base-Base interactions energy: -21.970 where: short stacking energy: -21.970 Base-Backbone interact. energy: -0.091 local terms energy: -38.016560 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -7.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -46.065831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.065831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.065831 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -15.645 Base-Backbone interact. energy: -0.083 local terms energy: -30.337424 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.275 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -1.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -52.034109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.034109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.034109 (E_RNA) where: Base-Base interactions energy: -22.477 where: short stacking energy: -15.449 Base-Backbone interact. energy: -0.001 local terms energy: -29.555474 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -42.516558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.516558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.516558 (E_RNA) where: Base-Base interactions energy: -14.812 where: short stacking energy: -14.812 Base-Backbone interact. energy: 0.270 local terms energy: -27.974923 where: bonds (distance) C4'-P energy: -6.446 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -40.662294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.662294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.662294 (E_RNA) where: Base-Base interactions energy: -13.043 where: short stacking energy: -13.043 Base-Backbone interact. energy: -0.001 local terms energy: -27.618503 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -5.932 flat angles C4'-P-C4' energy: -7.364 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -47.783956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.783956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.783956 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -13.205 Base-Backbone interact. energy: -0.003 local terms energy: -32.736703 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -4.583 flat angles P-C4'-P energy: -4.984 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: 1, replica: 6 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -76.100457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.100457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.100457 (E_RNA) where: Base-Base interactions energy: -45.374 where: short stacking energy: -20.249 Base-Backbone interact. energy: 0.208 local terms energy: -30.933605 where: bonds (distance) C4'-P energy: -3.337 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -69.562347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.562347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.562347 (E_RNA) where: Base-Base interactions energy: -30.848 where: short stacking energy: -27.502 Base-Backbone interact. energy: -0.000 local terms energy: -38.714683 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -10.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -61.018549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.018549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.018549 (E_RNA) where: Base-Base interactions energy: -25.223 where: short stacking energy: -25.223 Base-Backbone interact. energy: -0.001 local terms energy: -35.794218 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.609 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: 1 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -48.262303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.262303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.262303 (E_RNA) where: Base-Base interactions energy: -19.918 where: short stacking energy: -18.862 Base-Backbone interact. energy: -0.019 local terms energy: -28.325575 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -51.017910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.017910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.017910 (E_RNA) where: Base-Base interactions energy: -20.913 where: short stacking energy: -20.913 Base-Backbone interact. energy: -0.090 local terms energy: -30.014916 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -4.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -50.275147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.275147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.275147 (E_RNA) where: Base-Base interactions energy: -18.615 where: short stacking energy: -12.616 Base-Backbone interact. energy: -0.161 local terms energy: -31.499093 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -2.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -47.251136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251136 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.050 local terms energy: -30.426791 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -6.388 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: 8, replica: 7 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -45.430690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.430690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.430690 (E_RNA) where: Base-Base interactions energy: -21.966 where: short stacking energy: -12.517 Base-Backbone interact. energy: 0.510 local terms energy: -23.974998 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -2.485 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -1.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -45.438397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.438397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.438397 (E_RNA) where: Base-Base interactions energy: -18.625 where: short stacking energy: -17.173 Base-Backbone interact. energy: -0.008 local terms energy: -26.805204 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -2.097 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -41.630508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.630508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.630508 (E_RNA) where: Base-Base interactions energy: -14.456 where: short stacking energy: -11.143 Base-Backbone interact. energy: -0.001 local terms energy: -27.173667 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -5.574 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: 6 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -79.631054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.631054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.631054 (E_RNA) where: Base-Base interactions energy: -43.882 where: short stacking energy: -26.995 Base-Backbone interact. energy: -0.004 local terms energy: -35.745122 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -66.576713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.576713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.576713 (E_RNA) where: Base-Base interactions energy: -31.962 where: short stacking energy: -20.312 Base-Backbone interact. energy: -0.069 local terms energy: -34.545436 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -5.179 tors. eta vs tors. theta energy: -3.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -74.082198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.082198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.082198 (E_RNA) where: Base-Base interactions energy: -38.446 where: short stacking energy: -23.422 Base-Backbone interact. energy: -0.102 local terms energy: -35.534095 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -2.572 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: 4, replica: 10 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -53.746663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.746663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.746663 (E_RNA) where: Base-Base interactions energy: -19.367 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.000 local terms energy: -34.379713 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -4.455 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: 5, replica: 1 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -55.815807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.815807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.815807 (E_RNA) where: Base-Base interactions energy: -27.128 where: short stacking energy: -20.749 Base-Backbone interact. energy: -0.020 local terms energy: -28.667990 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.916 flat angles P-C4'-P energy: -3.832 tors. eta vs tors. theta energy: -2.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -52.911940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.911940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.911940 (E_RNA) where: Base-Base interactions energy: -29.655 where: short stacking energy: -21.799 Base-Backbone interact. energy: 0.002 local terms energy: -23.258793 where: bonds (distance) C4'-P energy: -3.047 bonds (distance) P-C4' energy: -6.719 flat angles C4'-P-C4' energy: -8.351 flat angles P-C4'-P energy: -4.135 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: 2 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -56.650130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.650130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.650130 (E_RNA) where: Base-Base interactions energy: -27.750 where: short stacking energy: -27.750 Base-Backbone interact. energy: -0.032 local terms energy: -28.867703 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -4.952 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.431 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: 8, replica: 5 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -49.155844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.155844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.155844 (E_RNA) where: Base-Base interactions energy: -18.346 where: short stacking energy: -18.346 Base-Backbone interact. energy: -0.000 local terms energy: -30.809669 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -45.372777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.372777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.372777 (E_RNA) where: Base-Base interactions energy: -17.327 where: short stacking energy: -17.327 Base-Backbone interact. energy: -0.094 local terms energy: -27.951820 where: bonds (distance) C4'-P energy: -6.607 bonds (distance) P-C4' energy: -5.465 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.930 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: 10, replica: 8 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -40.661977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.661977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.661977 (E_RNA) where: Base-Base interactions energy: -7.589 where: short stacking energy: -7.589 Base-Backbone interact. energy: -0.004 local terms energy: -33.068763 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -83.296521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.296521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.296521 (E_RNA) where: Base-Base interactions energy: -49.097 where: short stacking energy: -30.997 Base-Backbone interact. energy: -0.024 local terms energy: -34.176332 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -5.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -66.939223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.939223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.939223 (E_RNA) where: Base-Base interactions energy: -28.137 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.000 local terms energy: -38.802448 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -7.113 tors. eta vs tors. theta energy: -8.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -52.002261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.002261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.002261 (E_RNA) where: Base-Base interactions energy: -22.196 where: short stacking energy: -20.234 Base-Backbone interact. energy: -0.232 local terms energy: -29.573749 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -66.191880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.191880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.191880 (E_RNA) where: Base-Base interactions energy: -33.055 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.018 local terms energy: -33.118237 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -5.130 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: 5, replica: 3 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -54.476807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.476807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.476807 (E_RNA) where: Base-Base interactions energy: -20.928 where: short stacking energy: -17.701 Base-Backbone interact. energy: -0.000 local terms energy: -33.548826 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.367 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -7.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -55.229057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.229057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.229057 (E_RNA) where: Base-Base interactions energy: -17.552 where: short stacking energy: -17.552 Base-Backbone interact. energy: -0.001 local terms energy: -37.676392 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: -7.557 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: 7, replica: 5 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -55.202464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.202464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.202464 (E_RNA) where: Base-Base interactions energy: -21.757 where: short stacking energy: -21.757 Base-Backbone interact. energy: -0.008 local terms energy: -33.438207 where: bonds (distance) C4'-P energy: -5.104 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -7.547 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -45.445730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.445730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.445730 (E_RNA) where: Base-Base interactions energy: -13.768 where: short stacking energy: -13.768 Base-Backbone interact. energy: -0.257 local terms energy: -31.421115 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -2.992 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: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -45.698383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.698383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.698383 (E_RNA) where: Base-Base interactions energy: -19.802 where: short stacking energy: -17.246 Base-Backbone interact. energy: 0.316 local terms energy: -26.211713 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -2.724 tors. eta vs tors. theta energy: -1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -40.670648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.670648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.670648 (E_RNA) where: Base-Base interactions energy: -11.034 where: short stacking energy: -11.034 Base-Backbone interact. energy: -0.754 local terms energy: -28.882693 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -5.576 flat angles P-C4'-P energy: -6.692 tors. eta vs tors. theta energy: -0.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -66.874506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.874506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.874506 (E_RNA) where: Base-Base interactions energy: -32.853 where: short stacking energy: -22.872 Base-Backbone interact. energy: -0.095 local terms energy: -33.926534 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -64.400876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.400876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.400876 (E_RNA) where: Base-Base interactions energy: -29.224 where: short stacking energy: -22.950 Base-Backbone interact. energy: -0.000 local terms energy: -35.176838 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -6.699 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: 3, replica: 4 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -58.515394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.515394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.515394 (E_RNA) where: Base-Base interactions energy: -27.243 where: short stacking energy: -27.243 Base-Backbone interact. energy: 0.304 local terms energy: -31.576887 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -5.047 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: 4, replica: 3 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -52.838942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.838942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.838942 (E_RNA) where: Base-Base interactions energy: -21.286 where: short stacking energy: -21.286 Base-Backbone interact. energy: -0.000 local terms energy: -31.552543 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -7.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -53.134673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.134673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.134673 (E_RNA) where: Base-Base interactions energy: -21.708 where: short stacking energy: -18.725 Base-Backbone interact. energy: -0.019 local terms energy: -31.408578 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.222 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: 5 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -47.570901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.570901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.570901 (E_RNA) where: Base-Base interactions energy: -19.300 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.071 local terms energy: -28.199701 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -4.949 tors. eta vs tors. theta energy: -2.546 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: 97 Temperature: 1.200000 Total energy: -48.320910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.320910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.320910 (E_RNA) where: Base-Base interactions energy: -19.060 where: short stacking energy: -15.042 Base-Backbone interact. energy: -0.097 local terms energy: -29.164026 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -3.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -53.487852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.487852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.487852 (E_RNA) where: Base-Base interactions energy: -19.227 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.001 local terms energy: -34.259918 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -2.820 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: 9, replica: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -45.609114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.609114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.609114 (E_RNA) where: Base-Base interactions energy: -18.722 where: short stacking energy: -18.722 Base-Backbone interact. energy: -0.001 local terms energy: -26.885501 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -0.551 tors. eta vs tors. theta energy: -4.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -41.945888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.945888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.945888 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.163 local terms energy: -24.774694 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -68.161765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.161765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.161765 (E_RNA) where: Base-Base interactions energy: -36.966 where: short stacking energy: -21.996 Base-Backbone interact. energy: -0.003 local terms energy: -31.193455 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -1.519 flat angles P-C4'-P energy: -6.434 tors. eta vs tors. theta energy: -6.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -61.886112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.886112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.886112 (E_RNA) where: Base-Base interactions energy: -24.957 where: short stacking energy: -24.957 Base-Backbone interact. energy: -0.000 local terms energy: -36.929003 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -6.851 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: 3, replica: 3 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -60.826713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.826713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.826713 (E_RNA) where: Base-Base interactions energy: -28.644 where: short stacking energy: -19.919 Base-Backbone interact. energy: -0.001 local terms energy: -32.182543 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -51.751299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.751299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.751299 (E_RNA) where: Base-Base interactions energy: -18.162 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.006 local terms energy: -33.582369 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.404 flat angles P-C4'-P energy: -7.240 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: 5, replica: 5 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -66.653115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.653115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.653115 (E_RNA) where: Base-Base interactions energy: -34.704 where: short stacking energy: -16.787 Base-Backbone interact. energy: -0.123 local terms energy: -31.825472 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -2.235 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: 98 Temperature: 1.150000 Total energy: -49.146984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.146984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.146984 (E_RNA) where: Base-Base interactions energy: -18.221 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.014 local terms energy: -30.912010 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -50.759634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.759634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.759634 (E_RNA) where: Base-Base interactions energy: -18.274 where: short stacking energy: -18.274 Base-Backbone interact. energy: -0.086 local terms energy: -32.398688 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -3.903 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: 1 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -43.721423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.721423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.721423 (E_RNA) where: Base-Base interactions energy: -14.402 where: short stacking energy: -14.402 Base-Backbone interact. energy: -0.096 local terms energy: -29.223092 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -3.650 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -3.819 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: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -38.306586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.306586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.306586 (E_RNA) where: Base-Base interactions energy: -11.161 where: short stacking energy: -11.161 Base-Backbone interact. energy: -0.042 local terms energy: -27.103620 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.126 flat angles P-C4'-P energy: -3.926 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: 2 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -43.377364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.377364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.377364 (E_RNA) where: Base-Base interactions energy: -15.767 where: short stacking energy: -15.767 Base-Backbone interact. energy: -0.002 local terms energy: -27.608671 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -2.316 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: 10 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -76.341834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.341834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.341834 (E_RNA) where: Base-Base interactions energy: -41.816 where: short stacking energy: -30.545 Base-Backbone interact. energy: -0.036 local terms energy: -34.489110 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -5.696 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: 2, replica: 3 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -57.898176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.898176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.898176 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.065 local terms energy: -33.680567 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -9.270 flat angles P-C4'-P energy: -5.809 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: 3, replica: 6 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -52.325113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.325113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.325113 (E_RNA) where: Base-Base interactions energy: -21.497 where: short stacking energy: -14.684 Base-Backbone interact. energy: -0.195 local terms energy: -30.633678 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -3.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -52.089294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.089294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.089294 (E_RNA) where: Base-Base interactions energy: -16.471 where: short stacking energy: -16.471 Base-Backbone interact. energy: -0.000 local terms energy: -35.618571 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -5.744 tors. eta vs tors. theta energy: -6.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -67.417403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.417403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.417403 (E_RNA) where: Base-Base interactions energy: -31.876 where: short stacking energy: -28.871 Base-Backbone interact. energy: -0.000 local terms energy: -35.541088 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -6.740 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: 6, replica: 9 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -59.551887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.551887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.551887 (E_RNA) where: Base-Base interactions energy: -24.409 where: short stacking energy: -21.334 Base-Backbone interact. energy: -0.000 local terms energy: -35.142171 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -48.816047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.816047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.816047 (E_RNA) where: Base-Base interactions energy: -23.633 where: short stacking energy: -17.743 Base-Backbone interact. energy: -0.027 local terms energy: -25.155740 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -5.447 flat angles C4'-P-C4' energy: -3.856 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -5.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -51.789416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.789416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.789416 (E_RNA) where: Base-Base interactions energy: -20.853 where: short stacking energy: -17.967 Base-Backbone interact. energy: -0.000 local terms energy: -30.935716 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.490 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -5.703 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: 9, replica: 1 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -41.374581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.374581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.374581 (E_RNA) where: Base-Base interactions energy: -17.485 where: short stacking energy: -17.485 Base-Backbone interact. energy: -0.000 local terms energy: -23.889566 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.310 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -4.611 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: 2 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -42.631539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.631539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.631539 (E_RNA) where: Base-Base interactions energy: -20.935 where: short stacking energy: -20.935 Base-Backbone interact. energy: -0.000 local terms energy: -21.696562 where: bonds (distance) C4'-P energy: -3.746 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -66.307943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.307943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.307943 (E_RNA) where: Base-Base interactions energy: -29.624 where: short stacking energy: -29.624 Base-Backbone interact. energy: -0.000 local terms energy: -36.683798 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -7.598 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: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -57.282053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.282053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.282053 (E_RNA) where: Base-Base interactions energy: -27.020 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.001 local terms energy: -30.261872 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.652 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -56.326842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.326842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.326842 (E_RNA) where: Base-Base interactions energy: -29.114 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.996 local terms energy: -26.216161 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -4.113 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -51.072826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.072826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.072826 (E_RNA) where: Base-Base interactions energy: -21.232 where: short stacking energy: -21.232 Base-Backbone interact. energy: -0.201 local terms energy: -29.639865 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -60.129157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.129157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.129157 (E_RNA) where: Base-Base interactions energy: -25.958 where: short stacking energy: -25.958 Base-Backbone interact. energy: -0.000 local terms energy: -34.171405 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -6.929 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: 5 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -54.344296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.344296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.344296 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -16.317 Base-Backbone interact. energy: -0.065 local terms energy: -31.474863 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -6.143 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: 7, replica: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -45.722744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.722744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.722744 (E_RNA) where: Base-Base interactions energy: -21.291 where: short stacking energy: -11.469 Base-Backbone interact. energy: -0.097 local terms energy: -24.335341 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -0.486 tors. eta vs tors. theta energy: -2.517 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: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -40.387543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.387543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.387543 (E_RNA) where: Base-Base interactions energy: -15.541 where: short stacking energy: -15.541 Base-Backbone interact. energy: 1.536 local terms energy: -26.382451 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -6.151 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: 9, replica: 1 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -45.834121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.834121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.834121 (E_RNA) where: Base-Base interactions energy: -13.717 where: short stacking energy: -13.717 Base-Backbone interact. energy: -0.001 local terms energy: -32.116723 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -6.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -39.355876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.355876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.355876 (E_RNA) where: Base-Base interactions energy: -12.488 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.038 local terms energy: -26.830128 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -5.855 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: 10 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -58.752799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.752799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.752799 (E_RNA) where: Base-Base interactions energy: -22.834 where: short stacking energy: -22.834 Base-Backbone interact. energy: -0.000 local terms energy: -35.918178 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -7.024 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: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -66.165374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.165374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.165374 (E_RNA) where: Base-Base interactions energy: -29.809 where: short stacking energy: -29.809 Base-Backbone interact. energy: -0.000 local terms energy: -36.356419 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -8.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -53.799439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.799439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.799439 (E_RNA) where: Base-Base interactions energy: -24.750 where: short stacking energy: -24.750 Base-Backbone interact. energy: -0.021 local terms energy: -29.027753 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -4.981 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -7.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -51.824748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.824748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.824748 (E_RNA) where: Base-Base interactions energy: -19.274 where: short stacking energy: -19.274 Base-Backbone interact. energy: -0.018 local terms energy: -32.532502 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -6.880 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: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -53.884595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.884595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.884595 (E_RNA) where: Base-Base interactions energy: -23.067 where: short stacking energy: -23.067 Base-Backbone interact. energy: -0.001 local terms energy: -30.816607 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -3.802 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: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -47.184923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.184923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.184923 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.093 Base-Backbone interact. energy: -0.043 local terms energy: -23.736912 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -2.972 tors. eta vs tors. theta energy: -0.577 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: 5 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -45.964241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.964241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.964241 (E_RNA) where: Base-Base interactions energy: -17.110 where: short stacking energy: -13.965 Base-Backbone interact. energy: -0.000 local terms energy: -28.854466 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -0.804 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: 1 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -43.178750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.178750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.178750 (E_RNA) where: Base-Base interactions energy: -17.091 where: short stacking energy: -11.681 Base-Backbone interact. energy: -0.001 local terms energy: -26.086401 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -5.927 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: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -44.301817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.301817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.301817 (E_RNA) where: Base-Base interactions energy: -21.397 where: short stacking energy: -21.397 Base-Backbone interact. energy: -0.015 local terms energy: -22.889722 where: bonds (distance) C4'-P energy: -5.192 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -42.324263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.324263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.324263 (E_RNA) where: Base-Base interactions energy: -21.961 where: short stacking energy: -12.270 Base-Backbone interact. energy: -0.060 local terms energy: -20.302793 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -4.744 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -0.503 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: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -62.139454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.139454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.139454 (E_RNA) where: Base-Base interactions energy: -27.176 where: short stacking energy: -23.318 Base-Backbone interact. energy: -0.104 local terms energy: -34.859612 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -6.076 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: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -54.793451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.793451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.793451 (E_RNA) where: Base-Base interactions energy: -20.285 where: short stacking energy: -20.285 Base-Backbone interact. energy: -0.002 local terms energy: -34.507298 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -3.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -59.593886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.593886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.593886 (E_RNA) where: Base-Base interactions energy: -25.283 where: short stacking energy: -22.596 Base-Backbone interact. energy: -0.020 local terms energy: -34.290703 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -57.536987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.536987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.536987 (E_RNA) where: Base-Base interactions energy: -24.046 where: short stacking energy: -24.046 Base-Backbone interact. energy: -0.000 local terms energy: -33.491348 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -6.635 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -52.599137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.599137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.599137 (E_RNA) where: Base-Base interactions energy: -21.804 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.022 local terms energy: -30.772833 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -5.976 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -55.586888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.586888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.586888 (E_RNA) where: Base-Base interactions energy: -23.678 where: short stacking energy: -21.602 Base-Backbone interact. energy: -0.001 local terms energy: -31.908144 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -3.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -46.864063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.864063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.864063 (E_RNA) where: Base-Base interactions energy: -15.326 where: short stacking energy: -15.326 Base-Backbone interact. energy: -0.092 local terms energy: -31.445490 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.603 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -47.115290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.115290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.115290 (E_RNA) where: Base-Base interactions energy: -13.947 where: short stacking energy: -13.947 Base-Backbone interact. energy: 0.597 local terms energy: -33.765098 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -6.554 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: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -44.274705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.274705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.274705 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -10.821 Base-Backbone interact. energy: -0.023 local terms energy: -24.470322 where: bonds (distance) C4'-P energy: -4.322 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -2.960 tors. eta vs tors. theta energy: -0.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -37.947253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.947253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.947253 (E_RNA) where: Base-Base interactions energy: -15.518 where: short stacking energy: -15.518 Base-Backbone interact. energy: -0.008 local terms energy: -22.421502 where: bonds (distance) C4'-P energy: -2.923 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -3.771 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: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -56.128128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.128128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.128128 (E_RNA) where: Base-Base interactions energy: -22.860 where: short stacking energy: -22.860 Base-Backbone interact. energy: -0.016 local terms energy: -33.252577 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -61.281511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.281511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.281511 (E_RNA) where: Base-Base interactions energy: -25.337 where: short stacking energy: -25.337 Base-Backbone interact. energy: 0.171 local terms energy: -36.114741 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -6.658 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -62.927208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.927208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.927208 (E_RNA) where: Base-Base interactions energy: -31.964 where: short stacking energy: -31.964 Base-Backbone interact. energy: -0.000 local terms energy: -30.963260 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -3.749 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: 4, replica: 3 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -50.871902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.871902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.871902 (E_RNA) where: Base-Base interactions energy: -24.595 where: short stacking energy: -12.326 Base-Backbone interact. energy: -0.346 local terms energy: -25.930946 where: bonds (distance) C4'-P energy: -4.337 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -4.938 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: 5, replica: 6 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -47.582084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.582084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.582084 (E_RNA) where: Base-Base interactions energy: -18.412 where: short stacking energy: -17.317 Base-Backbone interact. energy: -0.047 local terms energy: -29.122674 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -3.698 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: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -52.065811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.065811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.065811 (E_RNA) where: Base-Base interactions energy: -23.272 where: short stacking energy: -13.630 Base-Backbone interact. energy: -0.173 local terms energy: -28.621038 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -47.208993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.208993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.208993 (E_RNA) where: Base-Base interactions energy: -17.061 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.000 local terms energy: -30.148001 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -3.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -48.122581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.122581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.122581 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.040 local terms energy: -32.785278 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -9.394 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -45.566754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.566754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.566754 (E_RNA) where: Base-Base interactions energy: -18.677 where: short stacking energy: -18.677 Base-Backbone interact. energy: -0.001 local terms energy: -26.889269 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -2.186 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -35.290301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.290301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.290301 (E_RNA) where: Base-Base interactions energy: -11.071 where: short stacking energy: -11.011 Base-Backbone interact. energy: -0.068 local terms energy: -24.151643 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.885 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: 1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -59.641392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.641392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.641392 (E_RNA) where: Base-Base interactions energy: -26.664 where: short stacking energy: -26.664 Base-Backbone interact. energy: -0.011 local terms energy: -32.966808 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -4.595 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: 2, replica: 4 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -63.458821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.458821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.458821 (E_RNA) where: Base-Base interactions energy: -30.104 where: short stacking energy: -22.712 Base-Backbone interact. energy: -0.011 local terms energy: -33.343466 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -5.878 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -54.076324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.076324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.076324 (E_RNA) where: Base-Base interactions energy: -20.341 where: short stacking energy: -20.341 Base-Backbone interact. energy: -0.010 local terms energy: -33.724770 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -6.769 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -63.355737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.355737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.355737 (E_RNA) where: Base-Base interactions energy: -29.984 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.147 local terms energy: -33.225010 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -48.938046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.938046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.938046 (E_RNA) where: Base-Base interactions energy: -18.110 where: short stacking energy: -18.110 Base-Backbone interact. energy: -0.047 local terms energy: -30.781012 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.553 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -58.425871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.425871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.425871 (E_RNA) where: Base-Base interactions energy: -27.744 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.409 local terms energy: -30.272639 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.941 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -4.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -41.548983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.548983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.548983 (E_RNA) where: Base-Base interactions energy: -17.805 where: short stacking energy: -16.145 Base-Backbone interact. energy: -0.097 local terms energy: -23.647419 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.509 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -41.427951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.427951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.427951 (E_RNA) where: Base-Base interactions energy: -14.612 where: short stacking energy: -14.612 Base-Backbone interact. energy: -0.084 local terms energy: -26.732082 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -0.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -55.507461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.507461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.507461 (E_RNA) where: Base-Base interactions energy: -21.849 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.000 local terms energy: -33.658538 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.956 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -42.831324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.831324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.831324 (E_RNA) where: Base-Base interactions energy: -9.016 where: short stacking energy: -9.016 Base-Backbone interact. energy: -0.093 local terms energy: -33.722279 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -3.410 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: 1, replica: 10 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -62.154580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.154580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.154580 (E_RNA) where: Base-Base interactions energy: -27.054 where: short stacking energy: -27.054 Base-Backbone interact. energy: -0.014 local terms energy: -35.086769 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -6.124 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: 2, replica: 3 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -59.703096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.703096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.703096 (E_RNA) where: Base-Base interactions energy: -24.270 where: short stacking energy: -24.270 Base-Backbone interact. energy: -0.012 local terms energy: -35.420273 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.964 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.062 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: 3, replica: 4 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -58.330351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.330351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.330351 (E_RNA) where: Base-Base interactions energy: -26.015 where: short stacking energy: -26.005 Base-Backbone interact. energy: -0.000 local terms energy: -32.315018 where: bonds (distance) C4'-P energy: -6.485 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.588 flat angles P-C4'-P energy: -5.702 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: 4, replica: 9 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -66.263357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.263357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.263357 (E_RNA) where: Base-Base interactions energy: -36.873 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.103 local terms energy: -29.288034 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -5.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -52.054378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.054378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.054378 (E_RNA) where: Base-Base interactions energy: -28.868 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.109 local terms energy: -23.077337 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.297 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -1.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -48.842385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.842385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.842385 (E_RNA) where: Base-Base interactions energy: -20.710 where: short stacking energy: -17.322 Base-Backbone interact. energy: -0.077 local terms energy: -28.055470 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -0.841 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: 1 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -44.782795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.782795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.782795 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -20.583 Base-Backbone interact. energy: -0.004 local terms energy: -24.195796 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -4.276 tors. eta vs tors. theta energy: -2.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -48.785025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785025 (E_RNA) where: Base-Base interactions energy: -17.210 where: short stacking energy: -17.210 Base-Backbone interact. energy: -0.000 local terms energy: -31.575286 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.691 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -5.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -39.604846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.604846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.604846 (E_RNA) where: Base-Base interactions energy: -11.002 where: short stacking energy: -11.002 Base-Backbone interact. energy: -0.036 local terms energy: -28.567240 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -2.187 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: 5 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -42.225480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.225480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.225480 (E_RNA) where: Base-Base interactions energy: -14.035 where: short stacking energy: -14.035 Base-Backbone interact. energy: -0.022 local terms energy: -28.168941 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -4.852 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -6.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -62.397258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.397258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.397258 (E_RNA) where: Base-Base interactions energy: -23.815 where: short stacking energy: -23.126 Base-Backbone interact. energy: -0.051 local terms energy: -38.531208 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -6.680 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: 2, replica: 3 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -68.689212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.689212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.689212 (E_RNA) where: Base-Base interactions energy: -33.590 where: short stacking energy: -19.502 Base-Backbone interact. energy: -0.003 local terms energy: -35.096301 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -5.788 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: 3, replica: 4 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -59.318619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.318619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.318619 (E_RNA) where: Base-Base interactions energy: -25.949 where: short stacking energy: -25.949 Base-Backbone interact. energy: -0.000 local terms energy: -33.369222 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.084 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: 4, replica: 9 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -55.205816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.205816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.205816 (E_RNA) where: Base-Base interactions energy: -18.084 where: short stacking energy: -18.084 Base-Backbone interact. energy: -0.019 local terms energy: -37.102531 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -7.214 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: 5, replica: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -52.056880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.056880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.056880 (E_RNA) where: Base-Base interactions energy: -19.403 where: short stacking energy: -19.403 Base-Backbone interact. energy: -0.000 local terms energy: -32.653923 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -5.440 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: 6 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -55.368365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.368365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.368365 (E_RNA) where: Base-Base interactions energy: -20.262 where: short stacking energy: -20.262 Base-Backbone interact. energy: -0.004 local terms energy: -35.102670 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.195 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: 7, replica: 8 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -45.792427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.792427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.792427 (E_RNA) where: Base-Base interactions energy: -17.972 where: short stacking energy: -10.859 Base-Backbone interact. energy: -0.246 local terms energy: -27.574539 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -2.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -45.758235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.758235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.758235 (E_RNA) where: Base-Base interactions energy: -19.322 where: short stacking energy: -17.648 Base-Backbone interact. energy: -0.108 local terms energy: -26.328466 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.356 flat angles P-C4'-P energy: -3.348 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -39.004042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.004042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.004042 (E_RNA) where: Base-Base interactions energy: -12.985 where: short stacking energy: -12.985 Base-Backbone interact. energy: 0.912 local terms energy: -26.931336 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -0.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -45.945930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.945930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.945930 (E_RNA) where: Base-Base interactions energy: -18.606 where: short stacking energy: -18.606 Base-Backbone interact. energy: -0.012 local terms energy: -27.327973 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -2.318 tors. eta vs tors. theta energy: -4.956 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: 10 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -61.807800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.807800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.807800 (E_RNA) where: Base-Base interactions energy: -26.016 where: short stacking energy: -21.925 Base-Backbone interact. energy: -0.112 local terms energy: -35.679829 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -69.887033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.887033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.887033 (E_RNA) where: Base-Base interactions energy: -30.112 where: short stacking energy: -30.112 Base-Backbone interact. energy: -0.000 local terms energy: -39.775091 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -61.327448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.327448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.327448 (E_RNA) where: Base-Base interactions energy: -27.320 where: short stacking energy: -20.818 Base-Backbone interact. energy: -0.000 local terms energy: -34.007740 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.286 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -7.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -53.317467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.317467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.317467 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.047 local terms energy: -33.693190 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -3.854 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: 5, replica: 9 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -49.172021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.172021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.172021 (E_RNA) where: Base-Base interactions energy: -19.437 where: short stacking energy: -18.944 Base-Backbone interact. energy: -0.001 local terms energy: -29.733939 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -5.336 tors. eta vs tors. theta energy: -3.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -56.470993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.470993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.470993 (E_RNA) where: Base-Base interactions energy: -24.812 where: short stacking energy: -24.812 Base-Backbone interact. energy: -0.010 local terms energy: -31.649225 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -2.580 tors. eta vs tors. theta energy: -6.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -50.740560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.740560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.740560 (E_RNA) where: Base-Base interactions energy: -17.868 where: short stacking energy: -17.868 Base-Backbone interact. energy: -0.001 local terms energy: -32.871108 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -5.240 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: 8, replica: 5 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -50.603932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.603932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.603932 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.001 local terms energy: -32.768159 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -6.159 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: 1 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -48.721051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.721051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.721051 (E_RNA) where: Base-Base interactions energy: -20.664 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.039 local terms energy: -28.018179 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -0.984 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: 10, replica: 7 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -49.331437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.331437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.331437 (E_RNA) where: Base-Base interactions energy: -19.871 where: short stacking energy: -19.871 Base-Backbone interact. energy: 0.007 local terms energy: -29.468120 where: bonds (distance) C4'-P energy: -5.672 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.083 flat angles P-C4'-P energy: -2.108 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -74.690468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.690468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.690468 (E_RNA) where: Base-Base interactions energy: -34.142 where: short stacking energy: -27.731 Base-Backbone interact. energy: -0.000 local terms energy: -40.548112 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -8.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -59.070255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.070255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.070255 (E_RNA) where: Base-Base interactions energy: -24.190 where: short stacking energy: -24.190 Base-Backbone interact. energy: -0.025 local terms energy: -34.855983 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.735 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: 3, replica: 3 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -47.313141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.313141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.313141 (E_RNA) where: Base-Base interactions energy: -17.343 where: short stacking energy: -17.343 Base-Backbone interact. energy: -0.235 local terms energy: -29.735518 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -3.550 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: 2 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -55.269808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.269808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.269808 (E_RNA) where: Base-Base interactions energy: -21.431 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.000 local terms energy: -33.838629 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -4.579 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: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -52.859999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.859999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.859999 (E_RNA) where: Base-Base interactions energy: -21.613 where: short stacking energy: -21.613 Base-Backbone interact. energy: -0.107 local terms energy: -31.140116 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.198 flat angles P-C4'-P energy: -3.631 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: 6, replica: 9 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -57.282079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.282079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.282079 (E_RNA) where: Base-Base interactions energy: -24.229 where: short stacking energy: -24.229 Base-Backbone interact. energy: -0.000 local terms energy: -33.052865 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -6.992 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -4.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -49.205971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.205971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.205971 (E_RNA) where: Base-Base interactions energy: -15.919 where: short stacking energy: -15.919 Base-Backbone interact. energy: -0.045 local terms energy: -33.242223 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -41.358564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358564 (E_RNA) where: Base-Base interactions energy: -16.190 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.007 local terms energy: -25.162003 where: bonds (distance) C4'-P energy: -4.288 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.614 flat angles P-C4'-P energy: -1.033 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: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -47.395453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.395453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.395453 (E_RNA) where: Base-Base interactions energy: -21.011 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.074 local terms energy: -26.310518 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.714 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -39.385941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.385941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.385941 (E_RNA) where: Base-Base interactions energy: -15.176 where: short stacking energy: -15.176 Base-Backbone interact. energy: -0.188 local terms energy: -24.022202 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -2.889 flat angles P-C4'-P energy: -5.624 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -67.451260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.451260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.451260 (E_RNA) where: Base-Base interactions energy: -35.132 where: short stacking energy: -24.761 Base-Backbone interact. energy: -0.000 local terms energy: -32.318546 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -5.081 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -5.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -73.486860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.486860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.486860 (E_RNA) where: Base-Base interactions energy: -35.175 where: short stacking energy: -25.494 Base-Backbone interact. energy: -0.008 local terms energy: -38.304496 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.622 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -67.486415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.486415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.486415 (E_RNA) where: Base-Base interactions energy: -33.023 where: short stacking energy: -33.023 Base-Backbone interact. energy: -0.000 local terms energy: -34.463706 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -3.233 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: 4, replica: 8 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -53.657098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.657098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.657098 (E_RNA) where: Base-Base interactions energy: -23.960 where: short stacking energy: -23.960 Base-Backbone interact. energy: -0.000 local terms energy: -29.696987 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -4.810 flat angles P-C4'-P energy: -3.208 tors. eta vs tors. theta energy: -5.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -47.372156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.372156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.372156 (E_RNA) where: Base-Base interactions energy: -19.041 where: short stacking energy: -16.653 Base-Backbone interact. energy: -0.029 local terms energy: -28.302434 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.312 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -3.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -48.422655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.422655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.422655 (E_RNA) where: Base-Base interactions energy: -17.417 where: short stacking energy: -17.417 Base-Backbone interact. energy: -0.001 local terms energy: -31.005023 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -6.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -49.996149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.996149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.996149 (E_RNA) where: Base-Base interactions energy: -21.089 where: short stacking energy: -21.089 Base-Backbone interact. energy: -0.000 local terms energy: -28.907128 where: bonds (distance) C4'-P energy: -7.115 bonds (distance) P-C4' energy: -5.248 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -4.624 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: 7 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -44.160082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.160082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.160082 (E_RNA) where: Base-Base interactions energy: -21.131 where: short stacking energy: -11.693 Base-Backbone interact. energy: 2.004 local terms energy: -25.033050 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: 0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -40.836841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.836841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.836841 (E_RNA) where: Base-Base interactions energy: -12.648 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.073 local terms energy: -28.115951 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.403 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -41.689078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.689078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.689078 (E_RNA) where: Base-Base interactions energy: -16.611 where: short stacking energy: -4.156 Base-Backbone interact. energy: -0.037 local terms energy: -25.041308 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: 2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -82.712781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.712781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.712781 (E_RNA) where: Base-Base interactions energy: -46.645 where: short stacking energy: -30.629 Base-Backbone interact. energy: 0.597 local terms energy: -36.664651 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.837 flat angles C4'-P-C4' energy: -8.630 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -8.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -58.385964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.385964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.385964 (E_RNA) where: Base-Base interactions energy: -22.550 where: short stacking energy: -22.550 Base-Backbone interact. energy: -0.005 local terms energy: -35.831511 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -7.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -61.498128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.498128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.498128 (E_RNA) where: Base-Base interactions energy: -30.949 where: short stacking energy: -30.949 Base-Backbone interact. energy: -0.000 local terms energy: -30.548732 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -8.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -57.558999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.558999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.558999 (E_RNA) where: Base-Base interactions energy: -25.621 where: short stacking energy: -25.621 Base-Backbone interact. energy: -0.069 local terms energy: -31.868923 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -6.498 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -54.077193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.077193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.077193 (E_RNA) where: Base-Base interactions energy: -25.722 where: short stacking energy: -25.722 Base-Backbone interact. energy: -0.007 local terms energy: -28.348295 where: bonds (distance) C4'-P energy: -5.732 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -1.281 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: 6, replica: 2 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -47.763268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.763268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.763268 (E_RNA) where: Base-Base interactions energy: -18.347 where: short stacking energy: -15.336 Base-Backbone interact. energy: -0.040 local terms energy: -29.375956 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.954 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -2.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -47.155930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.155930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.155930 (E_RNA) where: Base-Base interactions energy: -19.082 where: short stacking energy: -16.381 Base-Backbone interact. energy: -0.606 local terms energy: -27.468619 where: bonds (distance) C4'-P energy: -4.977 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -1.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -40.699243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.699243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.699243 (E_RNA) where: Base-Base interactions energy: -16.645 where: short stacking energy: -15.453 Base-Backbone interact. energy: -0.048 local terms energy: -24.006197 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: 0.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -43.101634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.101634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.101634 (E_RNA) where: Base-Base interactions energy: -17.682 where: short stacking energy: -17.597 Base-Backbone interact. energy: -0.233 local terms energy: -25.186701 where: bonds (distance) C4'-P energy: -4.818 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.715 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -38.086443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.086443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.086443 (E_RNA) where: Base-Base interactions energy: -8.565 where: short stacking energy: -8.565 Base-Backbone interact. energy: -0.004 local terms energy: -29.517041 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.590 flat angles P-C4'-P energy: -4.812 tors. eta vs tors. theta energy: -0.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -83.994323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.994323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.994323 (E_RNA) where: Base-Base interactions energy: -45.997 where: short stacking energy: -25.549 Base-Backbone interact. energy: -0.457 local terms energy: -37.540382 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -6.221 tors. eta vs tors. theta energy: -6.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -63.639404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.639404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.639404 (E_RNA) where: Base-Base interactions energy: -30.406 where: short stacking energy: -22.073 Base-Backbone interact. energy: -0.019 local terms energy: -33.213899 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -3.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -53.934723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.934723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.934723 (E_RNA) where: Base-Base interactions energy: -25.202 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.892 local terms energy: -27.840460 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.544 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -6.897 tors. eta vs tors. theta energy: -0.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -58.592332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.592332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.592332 (E_RNA) where: Base-Base interactions energy: -27.569 where: short stacking energy: -27.569 Base-Backbone interact. energy: -0.001 local terms energy: -31.022264 where: bonds (distance) C4'-P energy: -3.763 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -50.702004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.702004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.702004 (E_RNA) where: Base-Base interactions energy: -26.059 where: short stacking energy: -26.059 Base-Backbone interact. energy: -0.006 local terms energy: -24.636928 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -2.473 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -4.783 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: 9 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -49.967774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.967774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.967774 (E_RNA) where: Base-Base interactions energy: -25.917 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.064 local terms energy: -23.986540 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.505 flat angles P-C4'-P energy: -1.779 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: 7, replica: 2 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -54.100001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.100001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.100001 (E_RNA) where: Base-Base interactions energy: -23.293 where: short stacking energy: -23.293 Base-Backbone interact. energy: -0.006 local terms energy: -30.800495 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -1.789 tors. eta vs tors. theta energy: -5.335 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: 1 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -48.226613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.226613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.226613 (E_RNA) where: Base-Base interactions energy: -21.468 where: short stacking energy: -13.942 Base-Backbone interact. energy: 0.749 local terms energy: -27.507321 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -4.223 flat angles C4'-P-C4' energy: -8.106 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -0.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -45.735157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.735157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.735157 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.033 local terms energy: -29.112981 where: bonds (distance) C4'-P energy: -2.839 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -3.997 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: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -42.891256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.891256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.891256 (E_RNA) where: Base-Base interactions energy: -14.922 where: short stacking energy: -14.922 Base-Backbone interact. energy: 0.007 local terms energy: -27.976230 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.510 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -1.141 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: 1, replica: 4 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -81.871120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.871120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.871120 (E_RNA) where: Base-Base interactions energy: -44.779 where: short stacking energy: -30.470 Base-Backbone interact. energy: -0.006 local terms energy: -37.086240 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -6.493 tors. eta vs tors. theta energy: -7.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -54.252093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.252093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.252093 (E_RNA) where: Base-Base interactions energy: -20.633 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.085 local terms energy: -33.534119 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -6.655 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: 3, replica: 5 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -64.278856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.278856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.278856 (E_RNA) where: Base-Base interactions energy: -29.290 where: short stacking energy: -22.230 Base-Backbone interact. energy: -0.001 local terms energy: -34.988707 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.501 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: 4, replica: 10 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -58.896103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.896103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.896103 (E_RNA) where: Base-Base interactions energy: -23.363 where: short stacking energy: -23.363 Base-Backbone interact. energy: -0.000 local terms energy: -35.532905 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -4.570 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: 5, replica: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -55.203757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.203757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.203757 (E_RNA) where: Base-Base interactions energy: -26.193 where: short stacking energy: -22.782 Base-Backbone interact. energy: -0.091 local terms energy: -28.919649 where: bonds (distance) C4'-P energy: -4.177 bonds (distance) P-C4' energy: -6.819 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -5.514 tors. eta vs tors. theta energy: -5.584 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: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -61.538752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.538752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.538752 (E_RNA) where: Base-Base interactions energy: -28.914 where: short stacking energy: -22.169 Base-Backbone interact. energy: -0.037 local terms energy: -32.588355 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -48.713266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.713266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.713266 (E_RNA) where: Base-Base interactions energy: -18.384 where: short stacking energy: -18.384 Base-Backbone interact. energy: -0.257 local terms energy: -30.072125 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -4.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -56.272423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.272423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.272423 (E_RNA) where: Base-Base interactions energy: -21.822 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.000 local terms energy: -34.450590 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.855 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -8.839 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: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -42.668582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.668582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.668582 (E_RNA) where: Base-Base interactions energy: -12.544 where: short stacking energy: -9.182 Base-Backbone interact. energy: -0.009 local terms energy: -30.115725 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -1.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -39.052262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.052262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.052262 (E_RNA) where: Base-Base interactions energy: -15.425 where: short stacking energy: -15.425 Base-Backbone interact. energy: -0.009 local terms energy: -23.619194 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -4.887 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -2.586 tors. eta vs tors. theta energy: -1.245 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: 1, replica: 4 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -84.516520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.516520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.516520 (E_RNA) where: Base-Base interactions energy: -45.937 where: short stacking energy: -31.901 Base-Backbone interact. energy: -0.040 local terms energy: -38.540407 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -5.820 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: 2, replica: 5 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -67.605675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.605675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.605675 (E_RNA) where: Base-Base interactions energy: -29.278 where: short stacking energy: -25.950 Base-Backbone interact. energy: -0.000 local terms energy: -38.327354 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -7.389 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: 3 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -61.896401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.896401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.896401 (E_RNA) where: Base-Base interactions energy: -27.966 where: short stacking energy: -27.966 Base-Backbone interact. energy: -0.000 local terms energy: -33.929896 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -5.341 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: 8 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -54.664324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.664324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.664324 (E_RNA) where: Base-Base interactions energy: -21.455 where: short stacking energy: -21.455 Base-Backbone interact. energy: -0.000 local terms energy: -33.209119 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -6.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -61.088355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.088355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.088355 (E_RNA) where: Base-Base interactions energy: -27.662 where: short stacking energy: -24.635 Base-Backbone interact. energy: -0.000 local terms energy: -33.425984 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.832 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -4.019 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: 6, replica: 1 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -51.195160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.195160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.195160 (E_RNA) where: Base-Base interactions energy: -19.016 where: short stacking energy: -19.016 Base-Backbone interact. energy: -0.000 local terms energy: -32.179179 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -45.519061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.519061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.519061 (E_RNA) where: Base-Base interactions energy: -15.461 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.631 local terms energy: -29.426892 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -4.164 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: 8, replica: 7 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -49.403692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.403692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.403692 (E_RNA) where: Base-Base interactions energy: -21.434 where: short stacking energy: -15.817 Base-Backbone interact. energy: 0.045 local terms energy: -28.014490 where: bonds (distance) C4'-P energy: -7.670 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -3.975 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -3.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -39.824223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.824223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.824223 (E_RNA) where: Base-Base interactions energy: -16.293 where: short stacking energy: -16.293 Base-Backbone interact. energy: -0.000 local terms energy: -23.530752 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -1.755 tors. eta vs tors. theta energy: -2.347 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: 6 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -48.122535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.122535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.122535 (E_RNA) where: Base-Base interactions energy: -18.594 where: short stacking energy: -18.594 Base-Backbone interact. energy: -0.000 local terms energy: -29.528289 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -5.008 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.096 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: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -80.679657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.679657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.679657 (E_RNA) where: Base-Base interactions energy: -46.236 where: short stacking energy: -26.235 Base-Backbone interact. energy: -0.000 local terms energy: -34.443739 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -6.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -80.981718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.981718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.981718 (E_RNA) where: Base-Base interactions energy: -46.830 where: short stacking energy: -29.720 Base-Backbone interact. energy: 0.621 local terms energy: -34.772995 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -8.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -61.081710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.081710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.081710 (E_RNA) where: Base-Base interactions energy: -28.110 where: short stacking energy: -28.110 Base-Backbone interact. energy: -0.000 local terms energy: -32.971755 where: bonds (distance) C4'-P energy: -6.604 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -7.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -57.780217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.780217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.780217 (E_RNA) where: Base-Base interactions energy: -26.720 where: short stacking energy: -26.720 Base-Backbone interact. energy: -0.000 local terms energy: -31.059714 where: bonds (distance) C4'-P energy: -4.140 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -5.297 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: 5, replica: 1 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -52.425425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.425425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.425425 (E_RNA) where: Base-Base interactions energy: -19.220 where: short stacking energy: -17.313 Base-Backbone interact. energy: -0.102 local terms energy: -33.103107 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -59.606257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.606257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.606257 (E_RNA) where: Base-Base interactions energy: -25.905 where: short stacking energy: -25.905 Base-Backbone interact. energy: -0.000 local terms energy: -33.701365 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -4.303 tors. eta vs tors. theta energy: -10.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -49.000516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.000516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.000516 (E_RNA) where: Base-Base interactions energy: -19.789 where: short stacking energy: -19.789 Base-Backbone interact. energy: -0.080 local terms energy: -29.131581 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.589 flat angles P-C4'-P energy: -4.135 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -49.532404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.532404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.532404 (E_RNA) where: Base-Base interactions energy: -18.228 where: short stacking energy: -18.228 Base-Backbone interact. energy: 0.885 local terms energy: -32.188932 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -3.946 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: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -46.752893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.752893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.752893 (E_RNA) where: Base-Base interactions energy: -17.430 where: short stacking energy: -16.368 Base-Backbone interact. energy: -0.050 local terms energy: -29.273111 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -39.654603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.654603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.654603 (E_RNA) where: Base-Base interactions energy: -10.342 where: short stacking energy: -10.342 Base-Backbone interact. energy: 0.539 local terms energy: -29.851942 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -2.403 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: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -76.497177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.497177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.497177 (E_RNA) where: Base-Base interactions energy: -43.647 where: short stacking energy: -26.341 Base-Backbone interact. energy: -0.461 local terms energy: -32.388997 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -5.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -51.569723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.569723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.569723 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.475 Base-Backbone interact. energy: -0.231 local terms energy: -30.863683 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -3.480 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: 3 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -58.273818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.273818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.273818 (E_RNA) where: Base-Base interactions energy: -21.816 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.019 local terms energy: -36.438491 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -5.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -56.228650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.228650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.228650 (E_RNA) where: Base-Base interactions energy: -26.602 where: short stacking energy: -24.846 Base-Backbone interact. energy: -0.099 local terms energy: -29.527566 where: bonds (distance) C4'-P energy: -5.414 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -5.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -57.408008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.408008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.408008 (E_RNA) where: Base-Base interactions energy: -23.981 where: short stacking energy: -23.764 Base-Backbone interact. energy: -0.102 local terms energy: -33.324984 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -9.262 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -51.487742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.487742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.487742 (E_RNA) where: Base-Base interactions energy: -19.309 where: short stacking energy: -19.309 Base-Backbone interact. energy: -0.004 local terms energy: -32.174874 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -3.978 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: 7, replica: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -48.399482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.399482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.399482 (E_RNA) where: Base-Base interactions energy: -19.694 where: short stacking energy: -19.694 Base-Backbone interact. energy: -0.272 local terms energy: -28.433331 where: bonds (distance) C4'-P energy: -7.008 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -4.552 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -45.093135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.093135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.093135 (E_RNA) where: Base-Base interactions energy: -17.429 where: short stacking energy: -17.429 Base-Backbone interact. energy: -0.075 local terms energy: -27.588792 where: bonds (distance) C4'-P energy: -4.447 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.648 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -41.584154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.584154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.584154 (E_RNA) where: Base-Base interactions energy: -13.686 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.056 local terms energy: -27.842567 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -56.427170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.427170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.427170 (E_RNA) where: Base-Base interactions energy: -23.477 where: short stacking energy: -22.829 Base-Backbone interact. energy: -0.002 local terms energy: -32.948016 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -5.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -60.344030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.344030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.344030 (E_RNA) where: Base-Base interactions energy: -24.864 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.013 local terms energy: -35.466779 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -5.103 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: 2, replica: 5 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -59.797863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.797863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.797863 (E_RNA) where: Base-Base interactions energy: -22.772 where: short stacking energy: -18.480 Base-Backbone interact. energy: -0.052 local terms energy: -36.973840 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -5.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -63.313348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.313348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.313348 (E_RNA) where: Base-Base interactions energy: -25.693 where: short stacking energy: -25.693 Base-Backbone interact. energy: -0.000 local terms energy: -37.620795 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -6.552 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: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -54.917316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.917316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.917316 (E_RNA) where: Base-Base interactions energy: -25.767 where: short stacking energy: -25.767 Base-Backbone interact. energy: -0.058 local terms energy: -29.092086 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -2.892 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: 5, replica: 7 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -54.463863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.463863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.463863 (E_RNA) where: Base-Base interactions energy: -19.373 where: short stacking energy: -17.728 Base-Backbone interact. energy: -0.077 local terms energy: -35.013902 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -50.310804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.310804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.310804 (E_RNA) where: Base-Base interactions energy: -19.658 where: short stacking energy: -19.504 Base-Backbone interact. energy: -0.003 local terms energy: -30.650417 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -4.859 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: 7, replica: 6 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -49.365489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.365489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.365489 (E_RNA) where: Base-Base interactions energy: -19.100 where: short stacking energy: -19.100 Base-Backbone interact. energy: 0.715 local terms energy: -30.980319 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -43.256134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.256134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.256134 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.032 local terms energy: -26.367578 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: -4.851 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: 9, replica: 2 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -43.702333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.702333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.702333 (E_RNA) where: Base-Base interactions energy: -19.017 where: short stacking energy: -19.017 Base-Backbone interact. energy: -0.023 local terms energy: -24.662440 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -3.856 tors. eta vs tors. theta energy: -1.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -35.781650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.781650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.781650 (E_RNA) where: Base-Base interactions energy: -9.822 where: short stacking energy: -9.558 Base-Backbone interact. energy: -0.121 local terms energy: -25.838107 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -1.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -67.742513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.742513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.742513 (E_RNA) where: Base-Base interactions energy: -30.833 where: short stacking energy: -30.833 Base-Backbone interact. energy: -0.000 local terms energy: -36.909225 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -3.892 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -59.944198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.944198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.944198 (E_RNA) where: Base-Base interactions energy: -23.979 where: short stacking energy: -22.035 Base-Backbone interact. energy: -0.093 local terms energy: -35.872104 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -6.215 tors. eta vs tors. theta energy: -6.444 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: 3 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -54.589135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.589135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.589135 (E_RNA) where: Base-Base interactions energy: -22.093 where: short stacking energy: -20.838 Base-Backbone interact. energy: -0.037 local terms energy: -32.459436 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -6.210 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: 4, replica: 7 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -60.114918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.114918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.114918 (E_RNA) where: Base-Base interactions energy: -27.787 where: short stacking energy: -21.493 Base-Backbone interact. energy: -0.101 local terms energy: -32.226893 where: bonds (distance) C4'-P energy: -4.230 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -9.409 flat angles P-C4'-P energy: -5.154 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: 5, replica: 1 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -58.379055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.379055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.379055 (E_RNA) where: Base-Base interactions energy: -22.010 where: short stacking energy: -18.857 Base-Backbone interact. energy: -0.055 local terms energy: -36.314867 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -3.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -51.436225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.436225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.436225 (E_RNA) where: Base-Base interactions energy: -24.131 where: short stacking energy: -23.271 Base-Backbone interact. energy: -0.015 local terms energy: -27.290663 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -4.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -47.165840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.165840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.165840 (E_RNA) where: Base-Base interactions energy: -14.541 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.066 local terms energy: -32.559476 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -4.722 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: 8, replica: 2 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -46.302323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.302323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.302323 (E_RNA) where: Base-Base interactions energy: -15.765 where: short stacking energy: -15.765 Base-Backbone interact. energy: -0.054 local terms energy: -30.483623 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -1.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -44.589652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.589652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.589652 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.001 local terms energy: -32.291899 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -1.651 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: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -42.192113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.192113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.192113 (E_RNA) where: Base-Base interactions energy: -15.008 where: short stacking energy: -13.355 Base-Backbone interact. energy: -0.003 local terms energy: -27.180840 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.699 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: 1, replica: 4 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -63.470507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.470507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.470507 (E_RNA) where: Base-Base interactions energy: -27.188 where: short stacking energy: -27.188 Base-Backbone interact. energy: -0.013 local terms energy: -36.269749 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -7.119 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: 2, replica: 5 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -61.492115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.492115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.492115 (E_RNA) where: Base-Base interactions energy: -28.433 where: short stacking energy: -27.238 Base-Backbone interact. energy: -0.000 local terms energy: -33.058704 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -5.674 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: 7 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -58.368966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.368966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.368966 (E_RNA) where: Base-Base interactions energy: -25.659 where: short stacking energy: -24.087 Base-Backbone interact. energy: -0.028 local terms energy: -32.681973 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -5.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -51.671749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.671749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.671749 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -20.317 Base-Backbone interact. energy: -0.020 local terms energy: -31.334437 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.486 flat angles P-C4'-P energy: -5.554 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: 5, replica: 1 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -55.625369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.625369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.625369 (E_RNA) where: Base-Base interactions energy: -19.248 where: short stacking energy: -19.248 Base-Backbone interact. energy: -0.038 local terms energy: -36.339267 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -6.333 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -51.778394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.778394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.778394 (E_RNA) where: Base-Base interactions energy: -19.706 where: short stacking energy: -19.706 Base-Backbone interact. energy: -0.000 local terms energy: -32.072525 where: bonds (distance) C4'-P energy: -4.304 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -7.303 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: 2 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -43.656827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.656827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.656827 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.004 local terms energy: -27.295998 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.800 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -1.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -50.979666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.979666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.979666 (E_RNA) where: Base-Base interactions energy: -26.013 where: short stacking energy: -26.013 Base-Backbone interact. energy: -0.003 local terms energy: -24.963554 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.518 flat angles P-C4'-P energy: -1.748 tors. eta vs tors. theta energy: -2.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -45.718082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.718082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.718082 (E_RNA) where: Base-Base interactions energy: -17.852 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.003 local terms energy: -27.863341 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -45.016526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.016526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.016526 (E_RNA) where: Base-Base interactions energy: -21.920 where: short stacking energy: -21.920 Base-Backbone interact. energy: -0.013 local terms energy: -23.083262 where: bonds (distance) C4'-P energy: -3.718 bonds (distance) P-C4' energy: -4.978 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -3.060 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: 1, replica: 4 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -67.084636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.084636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.084636 (E_RNA) where: Base-Base interactions energy: -28.449 where: short stacking energy: -28.449 Base-Backbone interact. energy: -0.000 local terms energy: -38.635269 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -70.406882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.406882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.406882 (E_RNA) where: Base-Base interactions energy: -33.945 where: short stacking energy: -33.945 Base-Backbone interact. energy: -0.000 local terms energy: -36.461606 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.154 flat angles P-C4'-P energy: -3.275 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: 3, replica: 7 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -55.622349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.622349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.622349 (E_RNA) where: Base-Base interactions energy: -23.981 where: short stacking energy: -22.533 Base-Backbone interact. energy: -0.008 local terms energy: -31.632482 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -4.957 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: 4, replica: 1 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -70.406577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.406577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.406577 (E_RNA) where: Base-Base interactions energy: -33.948 where: short stacking energy: -22.531 Base-Backbone interact. energy: -0.001 local terms energy: -36.457093 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -7.411 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -9.956 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: 3 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -64.205768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.205768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.205768 (E_RNA) where: Base-Base interactions energy: -26.941 where: short stacking energy: -26.941 Base-Backbone interact. energy: -0.000 local terms energy: -37.264475 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -5.236 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: 6, replica: 2 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -58.281497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.281497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.281497 (E_RNA) where: Base-Base interactions energy: -23.838 where: short stacking energy: -23.838 Base-Backbone interact. energy: -0.056 local terms energy: -34.387590 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -7.047 tors. eta vs tors. theta energy: -3.670 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: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -47.554619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.554619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.554619 (E_RNA) where: Base-Base interactions energy: -17.118 where: short stacking energy: -17.118 Base-Backbone interact. energy: -0.002 local terms energy: -30.434399 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -3.989 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: 8, replica: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -45.489221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.489221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.489221 (E_RNA) where: Base-Base interactions energy: -17.860 where: short stacking energy: -17.860 Base-Backbone interact. energy: -0.001 local terms energy: -27.628763 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -3.460 tors. eta vs tors. theta energy: -4.480 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: 9, replica: 8 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -43.987704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.987704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.987704 (E_RNA) where: Base-Base interactions energy: -15.588 where: short stacking energy: -15.588 Base-Backbone interact. energy: 1.184 local terms energy: -29.583511 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -4.821 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -5.358 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: 10, replica: 10 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -39.313891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.313891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.313891 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.883 Base-Backbone interact. energy: -0.051 local terms energy: -25.379129 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -0.566 tors. eta vs tors. theta energy: -0.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -74.394004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.394004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.394004 (E_RNA) where: Base-Base interactions energy: -37.389 where: short stacking energy: -29.352 Base-Backbone interact. energy: -0.000 local terms energy: -37.004554 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.144 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.784 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: 2, replica: 4 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -60.286973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.286973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.286973 (E_RNA) where: Base-Base interactions energy: -26.556 where: short stacking energy: -26.556 Base-Backbone interact. energy: -0.007 local terms energy: -33.723324 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -4.753 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: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -72.234044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.234044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.234044 (E_RNA) where: Base-Base interactions energy: -36.374 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.000 local terms energy: -35.859581 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -7.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -58.724430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.724430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.724430 (E_RNA) where: Base-Base interactions energy: -26.761 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.001 local terms energy: -31.962691 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -6.084 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: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -47.152691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.152691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.152691 (E_RNA) where: Base-Base interactions energy: -18.142 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.018 local terms energy: -28.992742 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -4.429 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: 6, replica: 3 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -56.684701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.684701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.684701 (E_RNA) where: Base-Base interactions energy: -26.380 where: short stacking energy: -26.110 Base-Backbone interact. energy: -0.321 local terms energy: -29.983793 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -61.007433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.007433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.007433 (E_RNA) where: Base-Base interactions energy: -27.261 where: short stacking energy: -27.261 Base-Backbone interact. energy: -0.013 local terms energy: -33.733676 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -7.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -49.520645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.520645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.520645 (E_RNA) where: Base-Base interactions energy: -18.594 where: short stacking energy: -10.734 Base-Backbone interact. energy: -0.230 local terms energy: -30.696561 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -6.527 tors. eta vs tors. theta energy: -1.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -43.920130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.920130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.920130 (E_RNA) where: Base-Base interactions energy: -15.238 where: short stacking energy: -13.269 Base-Backbone interact. energy: -0.055 local terms energy: -28.627498 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -2.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -42.804941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.804941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.804941 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -8.410 Base-Backbone interact. energy: -0.025 local terms energy: -30.234026 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -4.316 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: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -63.073205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.073205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.073205 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -25.925 Base-Backbone interact. energy: -0.001 local terms energy: -37.147517 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -10.726 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: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -61.982543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.982543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.982543 (E_RNA) where: Base-Base interactions energy: -29.603 where: short stacking energy: -23.435 Base-Backbone interact. energy: -0.006 local terms energy: -32.373570 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -6.880 tors. eta vs tors. theta energy: -3.259 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: 4 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -57.755953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.755953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.755953 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: 0.950 local terms energy: -37.667983 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -52.384733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.384733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.384733 (E_RNA) where: Base-Base interactions energy: -27.664 where: short stacking energy: -25.787 Base-Backbone interact. energy: 0.266 local terms energy: -24.987653 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -4.000 flat angles P-C4'-P energy: -1.338 tors. eta vs tors. theta energy: -5.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -50.428797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.428797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.428797 (E_RNA) where: Base-Base interactions energy: -22.725 where: short stacking energy: -19.675 Base-Backbone interact. energy: -0.001 local terms energy: -27.702770 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.026 flat angles P-C4'-P energy: -1.995 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -51.397534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.397534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.397534 (E_RNA) where: Base-Base interactions energy: -16.396 where: short stacking energy: -16.396 Base-Backbone interact. energy: -0.101 local terms energy: -34.900592 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -5.407 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: 7, replica: 3 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -49.070048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.070048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.070048 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.098 local terms energy: -34.152813 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -5.372 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: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -39.974733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.974733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.974733 (E_RNA) where: Base-Base interactions energy: -16.053 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.048 local terms energy: -23.874299 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -3.490 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -4.998 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: 9, replica: 6 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -42.184834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184834 (E_RNA) where: Base-Base interactions energy: -10.558 where: short stacking energy: -10.558 Base-Backbone interact. energy: -0.098 local terms energy: -31.529233 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -4.751 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: 8 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -44.251560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.251560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.251560 (E_RNA) where: Base-Base interactions energy: -14.289 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.071 local terms energy: -29.891751 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.213 tors. eta vs tors. theta energy: -2.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -67.592543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.592543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.592543 (E_RNA) where: Base-Base interactions energy: -30.234 where: short stacking energy: -30.234 Base-Backbone interact. energy: -0.000 local terms energy: -37.357956 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -9.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -59.468970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.468970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.468970 (E_RNA) where: Base-Base interactions energy: -25.053 where: short stacking energy: -25.053 Base-Backbone interact. energy: -0.017 local terms energy: -34.398484 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -4.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -56.313334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.313334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.313334 (E_RNA) where: Base-Base interactions energy: -20.234 where: short stacking energy: -20.234 Base-Backbone interact. energy: -0.008 local terms energy: -36.071713 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -5.212 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: 4, replica: 4 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -53.031530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.031530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.031530 (E_RNA) where: Base-Base interactions energy: -21.997 where: short stacking energy: -21.997 Base-Backbone interact. energy: -0.113 local terms energy: -30.921629 where: bonds (distance) C4'-P energy: -8.014 bonds (distance) P-C4' energy: -7.741 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.650 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: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -58.067612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.067612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.067612 (E_RNA) where: Base-Base interactions energy: -24.551 where: short stacking energy: -24.551 Base-Backbone interact. energy: -0.000 local terms energy: -33.516423 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -5.070 flat angles C4'-P-C4' energy: -8.628 flat angles P-C4'-P energy: -5.318 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: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -54.729871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.729871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.729871 (E_RNA) where: Base-Base interactions energy: -28.949 where: short stacking energy: -8.265 Base-Backbone interact. energy: -1.578 local terms energy: -24.202260 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -2.311 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: 0.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -44.739304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.739304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.739304 (E_RNA) where: Base-Base interactions energy: -15.715 where: short stacking energy: -15.715 Base-Backbone interact. energy: 0.062 local terms energy: -29.086391 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.295 flat angles P-C4'-P energy: -5.307 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: 8, replica: 3 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -43.848267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.848267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.848267 (E_RNA) where: Base-Base interactions energy: -19.430 where: short stacking energy: -19.430 Base-Backbone interact. energy: -0.004 local terms energy: -24.413368 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -4.701 flat angles P-C4'-P energy: -2.371 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: 9, replica: 8 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -45.541388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.541388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.541388 (E_RNA) where: Base-Base interactions energy: -16.677 where: short stacking energy: -16.677 Base-Backbone interact. energy: -0.000 local terms energy: -28.864395 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -4.651 tors. eta vs tors. theta energy: -3.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -52.247176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.247176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.247176 (E_RNA) where: Base-Base interactions energy: -19.274 where: short stacking energy: -19.274 Base-Backbone interact. energy: -0.000 local terms energy: -32.972869 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: -8.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -68.953143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.953143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.953143 (E_RNA) where: Base-Base interactions energy: -34.032 where: short stacking energy: -32.417 Base-Backbone interact. energy: -0.000 local terms energy: -34.921300 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.818 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -7.162 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: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -64.373837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.373837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.373837 (E_RNA) where: Base-Base interactions energy: -25.996 where: short stacking energy: -25.996 Base-Backbone interact. energy: -0.004 local terms energy: -38.374224 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -6.707 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -60.721110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.721110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.721110 (E_RNA) where: Base-Base interactions energy: -27.577 where: short stacking energy: -27.577 Base-Backbone interact. energy: -0.057 local terms energy: -33.087321 where: bonds (distance) C4'-P energy: -4.197 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -5.341 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: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -57.492762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.492762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.492762 (E_RNA) where: Base-Base interactions energy: -22.331 where: short stacking energy: -18.320 Base-Backbone interact. energy: -0.008 local terms energy: -35.153781 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -5.774 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: 5, replica: 4 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -52.915019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.915019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.915019 (E_RNA) where: Base-Base interactions energy: -28.594 where: short stacking energy: -18.481 Base-Backbone interact. energy: -0.005 local terms energy: -24.316189 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -0.631 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: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -54.254337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.254337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.254337 (E_RNA) where: Base-Base interactions energy: -24.288 where: short stacking energy: -24.288 Base-Backbone interact. energy: -0.042 local terms energy: -29.924547 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -5.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -42.540278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.540278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.540278 (E_RNA) where: Base-Base interactions energy: -15.069 where: short stacking energy: -15.069 Base-Backbone interact. energy: -0.184 local terms energy: -27.287281 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -5.157 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -48.238543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.238543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.238543 (E_RNA) where: Base-Base interactions energy: -19.537 where: short stacking energy: -19.537 Base-Backbone interact. energy: -0.008 local terms energy: -28.694031 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -3.228 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: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -38.915820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.915820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.915820 (E_RNA) where: Base-Base interactions energy: -11.277 where: short stacking energy: -11.212 Base-Backbone interact. energy: -0.058 local terms energy: -27.580050 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: 0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -42.519903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.519903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.519903 (E_RNA) where: Base-Base interactions energy: -16.420 where: short stacking energy: -7.292 Base-Backbone interact. energy: -0.004 local terms energy: -26.095676 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: -0.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -69.238625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.238625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.238625 (E_RNA) where: Base-Base interactions energy: -32.224 where: short stacking energy: -32.224 Base-Backbone interact. energy: -0.000 local terms energy: -37.014466 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.051 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: 7 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -60.323784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.323784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.323784 (E_RNA) where: Base-Base interactions energy: -27.461 where: short stacking energy: -27.461 Base-Backbone interact. energy: -0.098 local terms energy: -32.764921 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -3.847 tors. eta vs tors. theta energy: -5.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -57.622874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.622874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.622874 (E_RNA) where: Base-Base interactions energy: -28.146 where: short stacking energy: -22.598 Base-Backbone interact. energy: -0.602 local terms energy: -28.874344 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -3.538 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: 4, replica: 5 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -52.619562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.619562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.619562 (E_RNA) where: Base-Base interactions energy: -21.810 where: short stacking energy: -17.737 Base-Backbone interact. energy: -0.012 local terms energy: -30.797531 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -2.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -58.148193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.148193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.148193 (E_RNA) where: Base-Base interactions energy: -21.460 where: short stacking energy: -21.460 Base-Backbone interact. energy: -0.020 local terms energy: -36.668783 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -5.777 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: 6, replica: 4 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -48.271381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.271381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.271381 (E_RNA) where: Base-Base interactions energy: -23.746 where: short stacking energy: -23.746 Base-Backbone interact. energy: -0.001 local terms energy: -24.523771 where: bonds (distance) C4'-P energy: -4.910 bonds (distance) P-C4' energy: -3.895 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -5.469 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: 7, replica: 3 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -46.373104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.373104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.373104 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.009 local terms energy: -28.309489 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -5.522 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: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -41.373760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.373760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.373760 (E_RNA) where: Base-Base interactions energy: -22.426 where: short stacking energy: -10.923 Base-Backbone interact. energy: 1.511 local terms energy: -20.458440 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -0.108 tors. eta vs tors. theta energy: 1.420 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: 6 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -45.267320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.267320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.267320 (E_RNA) where: Base-Base interactions energy: -19.073 where: short stacking energy: -19.073 Base-Backbone interact. energy: -0.022 local terms energy: -26.172349 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -0.483 tors. eta vs tors. theta energy: -4.147 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: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -49.688496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.688496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.688496 (E_RNA) where: Base-Base interactions energy: -21.527 where: short stacking energy: -16.992 Base-Backbone interact. energy: -0.013 local terms energy: -28.149203 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -60.255729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.255729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.255729 (E_RNA) where: Base-Base interactions energy: -21.739 where: short stacking energy: -21.739 Base-Backbone interact. energy: -0.090 local terms energy: -38.427189 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -7.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -57.148289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.148289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.148289 (E_RNA) where: Base-Base interactions energy: -25.811 where: short stacking energy: -25.811 Base-Backbone interact. energy: -0.003 local terms energy: -31.334360 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -5.790 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -66.561296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.561296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.561296 (E_RNA) where: Base-Base interactions energy: -26.664 where: short stacking energy: -26.664 Base-Backbone interact. energy: -0.000 local terms energy: -39.897246 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -8.052 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: 10 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -62.629870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.629870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.629870 (E_RNA) where: Base-Base interactions energy: -32.899 where: short stacking energy: -14.452 Base-Backbone interact. energy: -0.002 local terms energy: -29.729210 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -3.994 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: 5 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -52.844285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.844285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.844285 (E_RNA) where: Base-Base interactions energy: -18.857 where: short stacking energy: -18.857 Base-Backbone interact. energy: -0.005 local terms energy: -33.981695 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -5.750 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: 3 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -49.622546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.622546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.622546 (E_RNA) where: Base-Base interactions energy: -19.143 where: short stacking energy: -18.736 Base-Backbone interact. energy: -0.099 local terms energy: -30.380499 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.836 flat angles P-C4'-P energy: -5.506 tors. eta vs tors. theta energy: -3.558 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: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -46.003998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.003998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.003998 (E_RNA) where: Base-Base interactions energy: -18.178 where: short stacking energy: -18.178 Base-Backbone interact. energy: 0.372 local terms energy: -28.197779 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -4.451 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -44.371788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.371788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.371788 (E_RNA) where: Base-Base interactions energy: -17.058 where: short stacking energy: -17.058 Base-Backbone interact. energy: -0.005 local terms energy: -27.308327 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.303 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -46.611623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.611623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.611623 (E_RNA) where: Base-Base interactions energy: -18.151 where: short stacking energy: -18.151 Base-Backbone interact. energy: -0.043 local terms energy: -28.417750 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -3.440 flat angles P-C4'-P energy: -4.926 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: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -39.200437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.200437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.200437 (E_RNA) where: Base-Base interactions energy: -14.919 where: short stacking energy: -14.919 Base-Backbone interact. energy: -0.031 local terms energy: -24.250719 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: 2.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -64.958453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.958453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.958453 (E_RNA) where: Base-Base interactions energy: -29.400 where: short stacking energy: -25.102 Base-Backbone interact. energy: -0.000 local terms energy: -35.557958 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -6.552 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: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -61.752536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.752536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.752536 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -25.794 Base-Backbone interact. energy: -0.000 local terms energy: -35.938416 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -3.659 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: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -58.224032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.224032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.224032 (E_RNA) where: Base-Base interactions energy: -21.926 where: short stacking energy: -21.926 Base-Backbone interact. energy: -0.009 local terms energy: -36.288670 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -48.330215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.330215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.330215 (E_RNA) where: Base-Base interactions energy: -19.188 where: short stacking energy: -19.188 Base-Backbone interact. energy: -0.120 local terms energy: -29.022519 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -3.516 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: 5, replica: 3 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -56.832553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.832553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.832553 (E_RNA) where: Base-Base interactions energy: -20.504 where: short stacking energy: -20.504 Base-Backbone interact. energy: -0.010 local terms energy: -36.318746 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -4.989 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: 5 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -50.463897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.463897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.463897 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -17.532 Base-Backbone interact. energy: -0.000 local terms energy: -32.932232 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.162 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -46.531442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.531442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.531442 (E_RNA) where: Base-Base interactions energy: -18.376 where: short stacking energy: -15.611 Base-Backbone interact. energy: -0.027 local terms energy: -28.127839 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -44.460869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.460869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.460869 (E_RNA) where: Base-Base interactions energy: -15.728 where: short stacking energy: -15.728 Base-Backbone interact. energy: -0.006 local terms energy: -28.726889 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -4.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -43.535543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.535543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.535543 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.005 local terms energy: -30.371665 where: bonds (distance) C4'-P energy: -7.399 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -2.000 tors. eta vs tors. theta energy: -8.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -39.736395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.736395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.736395 (E_RNA) where: Base-Base interactions energy: -17.095 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.007 local terms energy: -22.633968 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -2.499 flat angles P-C4'-P energy: -3.209 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: 9 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -71.655655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.655655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.655655 (E_RNA) where: Base-Base interactions energy: -34.068 where: short stacking energy: -16.713 Base-Backbone interact. energy: -0.844 local terms energy: -36.743586 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -5.346 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: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -72.458181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.458181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.458181 (E_RNA) where: Base-Base interactions energy: -32.413 where: short stacking energy: -27.899 Base-Backbone interact. energy: -0.000 local terms energy: -40.044646 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -7.296 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: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -58.426029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.426029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.426029 (E_RNA) where: Base-Base interactions energy: -27.491 where: short stacking energy: -22.252 Base-Backbone interact. energy: -0.014 local terms energy: -30.920672 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -2.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -66.010183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.010183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.010183 (E_RNA) where: Base-Base interactions energy: -28.208 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.000 local terms energy: -37.801784 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -9.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -54.696244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.696244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.696244 (E_RNA) where: Base-Base interactions energy: -21.656 where: short stacking energy: -21.656 Base-Backbone interact. energy: -0.000 local terms energy: -33.039936 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.308 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -5.917 tors. eta vs tors. theta energy: -8.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -51.100715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.100715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.100715 (E_RNA) where: Base-Base interactions energy: -19.204 where: short stacking energy: -19.204 Base-Backbone interact. energy: -0.002 local terms energy: -31.894915 where: bonds (distance) C4'-P energy: -4.782 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -8.769 flat angles P-C4'-P energy: -5.680 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: 7, replica: 5 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -58.615707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.615707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.615707 (E_RNA) where: Base-Base interactions energy: -30.723 where: short stacking energy: -21.800 Base-Backbone interact. energy: 0.209 local terms energy: -28.101797 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -1.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -43.317362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317362 (E_RNA) where: Base-Base interactions energy: -15.598 where: short stacking energy: -12.716 Base-Backbone interact. energy: -0.102 local terms energy: -27.616977 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -2.787 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -45.524788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.524788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.524788 (E_RNA) where: Base-Base interactions energy: -17.557 where: short stacking energy: -10.462 Base-Backbone interact. energy: -0.156 local terms energy: -27.811142 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.694 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: 0.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -40.466579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.466579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.466579 (E_RNA) where: Base-Base interactions energy: -15.617 where: short stacking energy: -14.445 Base-Backbone interact. energy: -0.034 local terms energy: -24.815721 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -3.744 flat angles P-C4'-P energy: -4.707 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -69.018579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.018579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.018579 (E_RNA) where: Base-Base interactions energy: -33.283 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.026 local terms energy: -35.709363 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -4.893 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: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -68.262249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.262249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.262249 (E_RNA) where: Base-Base interactions energy: -36.768 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.009 local terms energy: -31.485912 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -6.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -73.088137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.088137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.088137 (E_RNA) where: Base-Base interactions energy: -36.937 where: short stacking energy: -22.113 Base-Backbone interact. energy: -2.066 local terms energy: -34.085275 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -6.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -56.704921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.704921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.704921 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -20.220 Base-Backbone interact. energy: -0.086 local terms energy: -31.364804 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -5.541 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: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -49.274443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.274443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.274443 (E_RNA) where: Base-Base interactions energy: -20.044 where: short stacking energy: -9.444 Base-Backbone interact. energy: -0.024 local terms energy: -29.206445 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -9.113 flat angles P-C4'-P energy: -2.646 tors. eta vs tors. theta energy: -2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -53.691409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.691409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.691409 (E_RNA) where: Base-Base interactions energy: -18.959 where: short stacking energy: -14.818 Base-Backbone interact. energy: -0.003 local terms energy: -34.729731 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.691 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: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -44.735175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.735175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.735175 (E_RNA) where: Base-Base interactions energy: -16.217 where: short stacking energy: -16.217 Base-Backbone interact. energy: 0.529 local terms energy: -29.048008 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -45.410464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.410464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.410464 (E_RNA) where: Base-Base interactions energy: -14.060 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.096 local terms energy: -31.254553 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -2.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -43.353314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.353314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.353314 (E_RNA) where: Base-Base interactions energy: -15.336 where: short stacking energy: -15.336 Base-Backbone interact. energy: -0.208 local terms energy: -27.809366 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -4.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -46.031633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.031633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.031633 (E_RNA) where: Base-Base interactions energy: -19.479 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.009 local terms energy: -26.542927 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -5.971 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -66.090767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.090767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.090767 (E_RNA) where: Base-Base interactions energy: -33.969 where: short stacking energy: -29.733 Base-Backbone interact. energy: -0.006 local terms energy: -32.115234 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -5.138 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: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -69.802166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.802166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.802166 (E_RNA) where: Base-Base interactions energy: -39.082 where: short stacking energy: -23.089 Base-Backbone interact. energy: -0.075 local terms energy: -30.644913 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -75.248921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.248921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.248921 (E_RNA) where: Base-Base interactions energy: -45.074 where: short stacking energy: -27.135 Base-Backbone interact. energy: 1.625 local terms energy: -31.800690 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -3.737 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: 4, replica: 6 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -53.743630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.743630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.743630 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -22.422 Base-Backbone interact. energy: -0.012 local terms energy: -31.308958 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -3.655 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: 5, replica: 7 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -52.213405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.213405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.213405 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.093 local terms energy: -30.549687 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -53.784131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.784131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.784131 (E_RNA) where: Base-Base interactions energy: -20.215 where: short stacking energy: -16.275 Base-Backbone interact. energy: -0.711 local terms energy: -32.858939 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -2.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -49.553493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.553493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.553493 (E_RNA) where: Base-Base interactions energy: -26.870 where: short stacking energy: -12.863 Base-Backbone interact. energy: -0.342 local terms energy: -22.341560 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -3.569 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: 0.496 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: 8, replica: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -42.753063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.753063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.753063 (E_RNA) where: Base-Base interactions energy: -15.595 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.003 local terms energy: -27.155036 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -6.094 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -3.767 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: 9, replica: 5 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -41.061313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.061313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.061313 (E_RNA) where: Base-Base interactions energy: -13.530 where: short stacking energy: -9.988 Base-Backbone interact. energy: -0.035 local terms energy: -27.496686 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -4.208 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -0.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -41.123711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.123711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.123711 (E_RNA) where: Base-Base interactions energy: -11.782 where: short stacking energy: -10.342 Base-Backbone interact. energy: 0.774 local terms energy: -30.115935 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.131 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -74.592587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.592587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.592587 (E_RNA) where: Base-Base interactions energy: -40.641 where: short stacking energy: -23.415 Base-Backbone interact. energy: -0.001 local terms energy: -33.950303 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -5.109 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: 2, replica: 9 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -61.300308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.300308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.300308 (E_RNA) where: Base-Base interactions energy: -24.999 where: short stacking energy: -23.311 Base-Backbone interact. energy: -0.002 local terms energy: -36.298917 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -6.379 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: 6 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -64.856938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.856938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.856938 (E_RNA) where: Base-Base interactions energy: -29.482 where: short stacking energy: -29.482 Base-Backbone interact. energy: -0.016 local terms energy: -35.359481 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -7.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -61.283303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.283303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.283303 (E_RNA) where: Base-Base interactions energy: -24.221 where: short stacking energy: -24.221 Base-Backbone interact. energy: -0.389 local terms energy: -36.673130 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -4.711 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: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -62.089351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.089351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.089351 (E_RNA) where: Base-Base interactions energy: -30.562 where: short stacking energy: -20.014 Base-Backbone interact. energy: -0.000 local terms energy: -31.527175 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -6.104 flat angles P-C4'-P energy: -5.039 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: 6, replica: 7 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -50.983543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.983543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.983543 (E_RNA) where: Base-Base interactions energy: -20.409 where: short stacking energy: -14.648 Base-Backbone interact. energy: -0.004 local terms energy: -30.571009 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -5.085 tors. eta vs tors. theta energy: -1.376 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: 7, replica: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -48.711422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.711422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.711422 (E_RNA) where: Base-Base interactions energy: -18.047 where: short stacking energy: -17.079 Base-Backbone interact. energy: -0.611 local terms energy: -30.053474 where: bonds (distance) C4'-P energy: -5.635 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -44.459607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.459607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.459607 (E_RNA) where: Base-Base interactions energy: -16.791 where: short stacking energy: -8.670 Base-Backbone interact. energy: -0.000 local terms energy: -27.668589 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.477 tors. eta vs tors. theta energy: 0.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -40.922499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.922499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.922499 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.522 Base-Backbone interact. energy: -0.001 local terms energy: -27.315025 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -3.567 flat angles P-C4'-P energy: -4.024 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -38.946111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.946111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.946111 (E_RNA) where: Base-Base interactions energy: -20.529 where: short stacking energy: -10.336 Base-Backbone interact. energy: -0.017 local terms energy: -18.400037 where: bonds (distance) C4'-P energy: -3.949 bonds (distance) P-C4' energy: -6.932 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: 2.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -61.137984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.137984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.137984 (E_RNA) where: Base-Base interactions energy: -30.573 where: short stacking energy: -17.375 Base-Backbone interact. energy: -0.083 local terms energy: -30.481785 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -69.458693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.458693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.458693 (E_RNA) where: Base-Base interactions energy: -30.046 where: short stacking energy: -30.046 Base-Backbone interact. energy: -0.000 local terms energy: -39.412644 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -6.712 tors. eta vs tors. theta energy: -9.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -59.119299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.119299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.119299 (E_RNA) where: Base-Base interactions energy: -25.273 where: short stacking energy: -24.832 Base-Backbone interact. energy: -0.057 local terms energy: -33.788800 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.423 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -5.927 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: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -61.982390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.982390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.982390 (E_RNA) where: Base-Base interactions energy: -27.342 where: short stacking energy: -24.075 Base-Backbone interact. energy: -1.339 local terms energy: -33.300775 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -6.833 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: 5, replica: 1 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -57.350362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.350362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.350362 (E_RNA) where: Base-Base interactions energy: -26.298 where: short stacking energy: -26.598 Base-Backbone interact. energy: -0.159 local terms energy: -30.893261 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -55.386644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.386644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.386644 (E_RNA) where: Base-Base interactions energy: -26.028 where: short stacking energy: -20.574 Base-Backbone interact. energy: -0.168 local terms energy: -29.190763 where: bonds (distance) C4'-P energy: -4.628 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -4.774 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -48.879816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.879816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.879816 (E_RNA) where: Base-Base interactions energy: -16.059 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.092 local terms energy: -32.728210 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -1.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -48.558455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.558455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.558455 (E_RNA) where: Base-Base interactions energy: -11.983 where: short stacking energy: -11.983 Base-Backbone interact. energy: -0.000 local terms energy: -36.575556 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.973 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -45.343815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.343815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.343815 (E_RNA) where: Base-Base interactions energy: -18.411 where: short stacking energy: -18.411 Base-Backbone interact. energy: -0.012 local terms energy: -26.920669 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -40.334700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334700 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.121 local terms energy: -27.165230 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -4.466 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -3.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -64.570507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.570507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.570507 (E_RNA) where: Base-Base interactions energy: -30.101 where: short stacking energy: -30.101 Base-Backbone interact. energy: -0.000 local terms energy: -34.469323 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -8.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -60.860971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.860971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.860971 (E_RNA) where: Base-Base interactions energy: -27.695 where: short stacking energy: -27.695 Base-Backbone interact. energy: -0.000 local terms energy: -33.165409 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -4.194 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: 3, replica: 8 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -56.842367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.842367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.842367 (E_RNA) where: Base-Base interactions energy: -23.119 where: short stacking energy: -23.119 Base-Backbone interact. energy: -0.067 local terms energy: -33.656448 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -5.289 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -53.364214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.364214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.364214 (E_RNA) where: Base-Base interactions energy: -22.139 where: short stacking energy: -18.137 Base-Backbone interact. energy: -1.205 local terms energy: -30.020367 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -4.142 tors. eta vs tors. theta energy: -2.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -58.532301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.532301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.532301 (E_RNA) where: Base-Base interactions energy: -26.681 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.001 local terms energy: -31.850818 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.134 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.494 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: 6, replica: 1 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -43.648542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.648542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.648542 (E_RNA) where: Base-Base interactions energy: -16.659 where: short stacking energy: -15.460 Base-Backbone interact. energy: -0.064 local terms energy: -26.926055 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.483 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -55.217757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.217757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.217757 (E_RNA) where: Base-Base interactions energy: -23.407 where: short stacking energy: -23.407 Base-Backbone interact. energy: -0.009 local terms energy: -31.802260 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -4.323 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -54.250755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.250755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.250755 (E_RNA) where: Base-Base interactions energy: -27.530 where: short stacking energy: -18.965 Base-Backbone interact. energy: -0.007 local terms energy: -26.713700 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -2.682 flat angles P-C4'-P energy: -1.187 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: 9, replica: 5 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -42.758827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.758827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.758827 (E_RNA) where: Base-Base interactions energy: -12.952 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.010 local terms energy: -29.796795 where: bonds (distance) C4'-P energy: -6.218 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.586 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -2.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -52.379584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.379584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.379584 (E_RNA) where: Base-Base interactions energy: -16.822 where: short stacking energy: -16.822 Base-Backbone interact. energy: -0.000 local terms energy: -35.557455 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -63.845326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.845326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.845326 (E_RNA) where: Base-Base interactions energy: -33.161 where: short stacking energy: -33.161 Base-Backbone interact. energy: -0.000 local terms energy: -30.684450 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -0.863 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: 2, replica: 8 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -60.084294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.084294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.084294 (E_RNA) where: Base-Base interactions energy: -26.088 where: short stacking energy: -26.088 Base-Backbone interact. energy: -0.002 local terms energy: -33.994856 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.796 flat angles P-C4'-P energy: -4.881 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: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -67.983226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.983226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.983226 (E_RNA) where: Base-Base interactions energy: -26.538 where: short stacking energy: -26.538 Base-Backbone interact. energy: -0.000 local terms energy: -41.445142 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -10.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -61.002881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.002881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.002881 (E_RNA) where: Base-Base interactions energy: -25.479 where: short stacking energy: -21.053 Base-Backbone interact. energy: -2.595 local terms energy: -32.929385 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -44.090988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.090988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.090988 (E_RNA) where: Base-Base interactions energy: -13.280 where: short stacking energy: -13.280 Base-Backbone interact. energy: -0.091 local terms energy: -30.719612 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -3.337 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -54.079121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.079121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.079121 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.060 local terms energy: -29.508674 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -1.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -47.085665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.085665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.085665 (E_RNA) where: Base-Base interactions energy: -17.098 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.014 local terms energy: -29.973004 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -4.059 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -49.171833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.171833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.171833 (E_RNA) where: Base-Base interactions energy: -19.005 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.029 local terms energy: -30.138629 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -2.702 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: 133 Temperature: 1.300000 Total energy: -42.884801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.884801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.884801 (E_RNA) where: Base-Base interactions energy: -19.299 where: short stacking energy: -12.680 Base-Backbone interact. energy: 0.468 local terms energy: -24.052883 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -2.172 tors. eta vs tors. theta energy: 0.348 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: 10, replica: 10 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -41.200325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.200325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.200325 (E_RNA) where: Base-Base interactions energy: -14.586 where: short stacking energy: -14.586 Base-Backbone interact. energy: -0.002 local terms energy: -26.612621 where: bonds (distance) C4'-P energy: -5.149 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.043 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: 1, replica: 6 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -61.818444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.818444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.818444 (E_RNA) where: Base-Base interactions energy: -29.543 where: short stacking energy: -15.073 Base-Backbone interact. energy: -0.001 local terms energy: -32.274461 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.919 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -64.195628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.195628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.195628 (E_RNA) where: Base-Base interactions energy: -27.660 where: short stacking energy: -27.660 Base-Backbone interact. energy: -0.046 local terms energy: -36.489448 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -5.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -53.970957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.970957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.970957 (E_RNA) where: Base-Base interactions energy: -20.515 where: short stacking energy: -20.515 Base-Backbone interact. energy: -0.000 local terms energy: -33.455695 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -4.069 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: 4, replica: 3 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -58.933407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.933407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.933407 (E_RNA) where: Base-Base interactions energy: -24.722 where: short stacking energy: -24.722 Base-Backbone interact. energy: -0.000 local terms energy: -34.210524 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -5.147 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -8.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -52.082284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.082284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.082284 (E_RNA) where: Base-Base interactions energy: -25.900 where: short stacking energy: -17.741 Base-Backbone interact. energy: -0.041 local terms energy: -26.140928 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -9.306 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -43.483756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.483756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.483756 (E_RNA) where: Base-Base interactions energy: -15.909 where: short stacking energy: -11.855 Base-Backbone interact. energy: -0.525 local terms energy: -27.049870 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: 0.721 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: 7, replica: 1 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -53.513220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.513220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.513220 (E_RNA) where: Base-Base interactions energy: -18.399 where: short stacking energy: -18.399 Base-Backbone interact. energy: -0.101 local terms energy: -35.014016 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -2.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -60.061048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.061048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.061048 (E_RNA) where: Base-Base interactions energy: -26.855 where: short stacking energy: -26.855 Base-Backbone interact. energy: -0.000 local terms energy: -33.205574 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -5.072 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -9.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -48.113113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.113113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.113113 (E_RNA) where: Base-Base interactions energy: -18.276 where: short stacking energy: -12.044 Base-Backbone interact. energy: -0.053 local terms energy: -29.784131 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -5.978 tors. eta vs tors. theta energy: -1.505 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: 134 Temperature: 1.350000 Total energy: -41.787329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.787329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.787329 (E_RNA) where: Base-Base interactions energy: -17.332 where: short stacking energy: -17.332 Base-Backbone interact. energy: -0.074 local terms energy: -24.381514 where: bonds (distance) C4'-P energy: -2.584 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.793 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -3.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -61.290851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.290851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.290851 (E_RNA) where: Base-Base interactions energy: -24.625 where: short stacking energy: -24.625 Base-Backbone interact. energy: -0.003 local terms energy: -36.662170 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -60.160849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.160849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.160849 (E_RNA) where: Base-Base interactions energy: -29.213 where: short stacking energy: -29.213 Base-Backbone interact. energy: -0.001 local terms energy: -30.947043 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.269 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: 3, replica: 8 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -60.342601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.342601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.342601 (E_RNA) where: Base-Base interactions energy: -26.246 where: short stacking energy: -26.246 Base-Backbone interact. energy: -0.000 local terms energy: -34.096601 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.309 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -56.735530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.735530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.735530 (E_RNA) where: Base-Base interactions energy: -31.189 where: short stacking energy: -13.594 Base-Backbone interact. energy: -0.187 local terms energy: -25.358896 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -4.828 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -54.463288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.463288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.463288 (E_RNA) where: Base-Base interactions energy: -24.989 where: short stacking energy: -24.989 Base-Backbone interact. energy: -0.008 local terms energy: -29.465837 where: bonds (distance) C4'-P energy: -5.966 bonds (distance) P-C4' energy: -7.225 flat angles C4'-P-C4' energy: -6.765 flat angles P-C4'-P energy: -2.963 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: 6, replica: 1 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -57.021130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.021130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.021130 (E_RNA) where: Base-Base interactions energy: -23.585 where: short stacking energy: -23.585 Base-Backbone interact. energy: -0.017 local terms energy: -33.419335 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -4.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -50.661511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.661511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.661511 (E_RNA) where: Base-Base interactions energy: -19.683 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.001 local terms energy: -30.977837 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -3.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -44.914915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.914915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.914915 (E_RNA) where: Base-Base interactions energy: -19.935 where: short stacking energy: -10.707 Base-Backbone interact. energy: -0.207 local terms energy: -24.773387 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: 0.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -42.574895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.574895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.574895 (E_RNA) where: Base-Base interactions energy: -12.812 where: short stacking energy: -12.812 Base-Backbone interact. energy: -0.054 local terms energy: -29.709426 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -41.650690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.650690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.650690 (E_RNA) where: Base-Base interactions energy: -18.007 where: short stacking energy: -13.041 Base-Backbone interact. energy: -0.103 local terms energy: -23.539836 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -4.744 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -0.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -63.140008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.140008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.140008 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.010 local terms energy: -33.390520 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -6.327 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: 2, replica: 6 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -57.373289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.373289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.373289 (E_RNA) where: Base-Base interactions energy: -23.418 where: short stacking energy: -23.418 Base-Backbone interact. energy: -0.035 local terms energy: -33.920917 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.629 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: 3, replica: 4 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -53.360073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.360073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.360073 (E_RNA) where: Base-Base interactions energy: -25.804 where: short stacking energy: -25.804 Base-Backbone interact. energy: -0.110 local terms energy: -27.446309 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -5.338 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -1.274 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -49.623358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.623358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.623358 (E_RNA) where: Base-Base interactions energy: -21.466 where: short stacking energy: -19.189 Base-Backbone interact. energy: -0.005 local terms energy: -28.152986 where: bonds (distance) C4'-P energy: -6.756 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -3.172 tors. eta vs tors. theta energy: -2.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -54.485599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.485599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.485599 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.074 local terms energy: -33.104643 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -59.305560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.305560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.305560 (E_RNA) where: Base-Base interactions energy: -32.913 where: short stacking energy: -23.161 Base-Backbone interact. energy: -0.077 local terms energy: -26.315663 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.163 flat angles P-C4'-P energy: -1.337 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: 7, replica: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -47.771381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.771381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.771381 (E_RNA) where: Base-Base interactions energy: -20.792 where: short stacking energy: -12.937 Base-Backbone interact. energy: -0.012 local terms energy: -26.968148 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -3.867 tors. eta vs tors. theta energy: -0.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -48.272983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.272983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.272983 (E_RNA) where: Base-Base interactions energy: -20.091 where: short stacking energy: -14.591 Base-Backbone interact. energy: -0.179 local terms energy: -28.002939 where: bonds (distance) C4'-P energy: -4.558 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -4.294 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: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -44.001405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.001405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.001405 (E_RNA) where: Base-Base interactions energy: -21.656 where: short stacking energy: -11.557 Base-Backbone interact. energy: -0.019 local terms energy: -22.325969 where: bonds (distance) C4'-P energy: -3.749 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -5.590 tors. eta vs tors. theta energy: 2.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -47.596024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596024 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -13.688 Base-Backbone interact. energy: -1.017 local terms energy: -32.317780 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -4.992 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -6.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -59.924745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.924745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.924745 (E_RNA) where: Base-Base interactions energy: -26.590 where: short stacking energy: -26.590 Base-Backbone interact. energy: -0.085 local terms energy: -33.249699 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -5.244 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: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -62.157284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.157284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.157284 (E_RNA) where: Base-Base interactions energy: -30.884 where: short stacking energy: -18.468 Base-Backbone interact. energy: 1.576 local terms energy: -32.849101 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -6.550 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: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -70.598902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.598902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.598902 (E_RNA) where: Base-Base interactions energy: -32.632 where: short stacking energy: -32.632 Base-Backbone interact. energy: -0.000 local terms energy: -37.966502 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -9.107 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: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -56.597066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.597066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.597066 (E_RNA) where: Base-Base interactions energy: -25.100 where: short stacking energy: -18.932 Base-Backbone interact. energy: -0.000 local terms energy: -31.497246 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.382 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -4.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -49.461764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.461764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.461764 (E_RNA) where: Base-Base interactions energy: -18.738 where: short stacking energy: -18.738 Base-Backbone interact. energy: -0.134 local terms energy: -30.589670 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -4.649 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -6.346 tors. eta vs tors. theta energy: -3.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -51.945952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.945952 (E_RNA) where: Base-Base interactions energy: -23.160 where: short stacking energy: -13.104 Base-Backbone interact. energy: -0.309 local terms energy: -28.477542 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -4.058 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: 7, replica: 3 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -45.316454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.316454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.316454 (E_RNA) where: Base-Base interactions energy: -15.092 where: short stacking energy: -15.092 Base-Backbone interact. energy: -0.004 local terms energy: -30.220221 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -3.154 tors. eta vs tors. theta energy: -1.392 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: 7 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -43.493229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.493229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.493229 (E_RNA) where: Base-Base interactions energy: -15.642 where: short stacking energy: -15.642 Base-Backbone interact. energy: -0.007 local terms energy: -27.844737 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.024 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -45.202973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.202973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.202973 (E_RNA) where: Base-Base interactions energy: -13.436 where: short stacking energy: -12.581 Base-Backbone interact. energy: -0.001 local terms energy: -31.766393 where: bonds (distance) C4'-P energy: -5.652 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -3.987 tors. eta vs tors. theta energy: -4.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -44.457117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.457117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.457117 (E_RNA) where: Base-Base interactions energy: -14.731 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.008 local terms energy: -29.718448 where: bonds (distance) C4'-P energy: -5.790 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -2.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -70.094978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.094978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.094978 (E_RNA) where: Base-Base interactions energy: -36.055 where: short stacking energy: -22.315 Base-Backbone interact. energy: -0.012 local terms energy: -34.028162 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -5.426 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: 2, replica: 2 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -54.031892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.031892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.031892 (E_RNA) where: Base-Base interactions energy: -19.146 where: short stacking energy: -19.146 Base-Backbone interact. energy: -0.000 local terms energy: -34.885624 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -5.724 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: 3, replica: 1 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -63.762560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.762560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.762560 (E_RNA) where: Base-Base interactions energy: -25.830 where: short stacking energy: -25.027 Base-Backbone interact. energy: -0.001 local terms energy: -37.931598 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -6.029 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: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -55.865033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.865033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.865033 (E_RNA) where: Base-Base interactions energy: -21.694 where: short stacking energy: -20.264 Base-Backbone interact. energy: -0.213 local terms energy: -33.958172 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.306 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -7.521 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: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -54.410199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.410199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.410199 (E_RNA) where: Base-Base interactions energy: -26.232 where: short stacking energy: -17.877 Base-Backbone interact. energy: 0.670 local terms energy: -28.848443 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -3.859 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: 6, replica: 8 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -45.621365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.621365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.621365 (E_RNA) where: Base-Base interactions energy: -14.618 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.001 local terms energy: -31.001758 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -3.790 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: 7, replica: 7 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -47.099719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.099719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.099719 (E_RNA) where: Base-Base interactions energy: -21.362 where: short stacking energy: -9.917 Base-Backbone interact. energy: -0.007 local terms energy: -25.730727 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -1.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -45.356746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.356746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.356746 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.607 Base-Backbone interact. energy: -0.000 local terms energy: -31.749703 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -4.578 tors. eta vs tors. theta energy: -3.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -45.211285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.211285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.211285 (E_RNA) where: Base-Base interactions energy: -18.499 where: short stacking energy: -16.184 Base-Backbone interact. energy: -0.006 local terms energy: -26.706384 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -4.568 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -0.223 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: 9 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -42.892069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.892069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.892069 (E_RNA) where: Base-Base interactions energy: -14.352 where: short stacking energy: -14.352 Base-Backbone interact. energy: -0.011 local terms energy: -28.528728 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -9.538 flat angles P-C4'-P energy: -2.138 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -71.390499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.390499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.390499 (E_RNA) where: Base-Base interactions energy: -34.805 where: short stacking energy: -32.272 Base-Backbone interact. energy: -0.000 local terms energy: -36.584812 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -10.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -67.779578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.779578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.779578 (E_RNA) where: Base-Base interactions energy: -29.023 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.010 local terms energy: -38.746796 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -8.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -66.510853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.510853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.510853 (E_RNA) where: Base-Base interactions energy: -31.198 where: short stacking energy: -31.198 Base-Backbone interact. energy: -0.007 local terms energy: -35.305253 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -7.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -61.056572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.056572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.056572 (E_RNA) where: Base-Base interactions energy: -27.398 where: short stacking energy: -24.330 Base-Backbone interact. energy: -0.112 local terms energy: -33.546832 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -6.136 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -7.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -54.337876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.337876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.337876 (E_RNA) where: Base-Base interactions energy: -24.309 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.085 local terms energy: -29.944061 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -5.218 tors. eta vs tors. theta energy: -3.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -56.462567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.462567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.462567 (E_RNA) where: Base-Base interactions energy: -29.168 where: short stacking energy: -15.806 Base-Backbone interact. energy: -0.144 local terms energy: -27.151099 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -51.249367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.249367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.249367 (E_RNA) where: Base-Base interactions energy: -17.865 where: short stacking energy: -17.865 Base-Backbone interact. energy: -0.000 local terms energy: -33.384417 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -43.824559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.824559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.824559 (E_RNA) where: Base-Base interactions energy: -17.989 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.033 local terms energy: -25.803081 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.374 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -43.744451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.744451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.744451 (E_RNA) where: Base-Base interactions energy: -21.189 where: short stacking energy: -13.083 Base-Backbone interact. energy: -0.012 local terms energy: -22.543220 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -3.764 flat angles P-C4'-P energy: -5.093 tors. eta vs tors. theta energy: 0.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -43.267868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.267868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.267868 (E_RNA) where: Base-Base interactions energy: -13.468 where: short stacking energy: -13.468 Base-Backbone interact. energy: -0.071 local terms energy: -29.728765 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -5.846 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: 1, replica: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -69.878104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.878104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.878104 (E_RNA) where: Base-Base interactions energy: -36.606 where: short stacking energy: -22.279 Base-Backbone interact. energy: -0.444 local terms energy: -32.828121 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -65.782613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.782613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.782613 (E_RNA) where: Base-Base interactions energy: -30.072 where: short stacking energy: -30.072 Base-Backbone interact. energy: -0.000 local terms energy: -35.710790 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.331 flat angles P-C4'-P energy: -5.662 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: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -69.282433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.282433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.282433 (E_RNA) where: Base-Base interactions energy: -33.101 where: short stacking energy: -33.101 Base-Backbone interact. energy: -0.000 local terms energy: -36.181640 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -9.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -56.647859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.647859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.647859 (E_RNA) where: Base-Base interactions energy: -25.083 where: short stacking energy: -24.281 Base-Backbone interact. energy: -0.000 local terms energy: -31.564387 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.801 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: 5, replica: 7 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -59.608094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.608094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.608094 (E_RNA) where: Base-Base interactions energy: -28.354 where: short stacking energy: -17.043 Base-Backbone interact. energy: -0.045 local terms energy: -31.208769 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -2.865 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: 10 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -52.195881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.195881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.195881 (E_RNA) where: Base-Base interactions energy: -23.112 where: short stacking energy: -21.959 Base-Backbone interact. energy: -0.017 local terms energy: -29.067298 where: bonds (distance) C4'-P energy: -3.705 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -4.576 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -48.469127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.469127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.469127 (E_RNA) where: Base-Base interactions energy: -19.206 where: short stacking energy: -17.758 Base-Backbone interact. energy: -0.022 local terms energy: -29.241360 where: bonds (distance) C4'-P energy: -6.445 bonds (distance) P-C4' energy: -7.379 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -3.347 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: 140 Temperature: 1.250000 Total energy: -44.554822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.554822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.554822 (E_RNA) where: Base-Base interactions energy: -15.697 where: short stacking energy: -15.697 Base-Backbone interact. energy: -0.094 local terms energy: -28.763130 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -1.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -43.989370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.989370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.989370 (E_RNA) where: Base-Base interactions energy: -14.406 where: short stacking energy: -14.406 Base-Backbone interact. energy: -0.020 local terms energy: -29.563066 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.659 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -39.792863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.792863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.792863 (E_RNA) where: Base-Base interactions energy: -10.906 where: short stacking energy: -10.906 Base-Backbone interact. energy: -0.029 local terms energy: -28.858262 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -0.147 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: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -72.943321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.943321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.943321 (E_RNA) where: Base-Base interactions energy: -40.098 where: short stacking energy: -31.799 Base-Backbone interact. energy: -0.011 local terms energy: -32.834575 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -3.003 tors. eta vs tors. theta energy: -9.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -59.827209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.827209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.827209 (E_RNA) where: Base-Base interactions energy: -25.344 where: short stacking energy: -25.344 Base-Backbone interact. energy: -0.002 local terms energy: -34.481632 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -5.767 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: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -63.094284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.094284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.094284 (E_RNA) where: Base-Base interactions energy: -28.992 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.000 local terms energy: -34.102027 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -61.080551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.080551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.080551 (E_RNA) where: Base-Base interactions energy: -27.097 where: short stacking energy: -22.983 Base-Backbone interact. energy: -0.135 local terms energy: -33.848357 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -6.222 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: 5, replica: 2 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -54.105575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.105575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.105575 (E_RNA) where: Base-Base interactions energy: -25.367 where: short stacking energy: -25.367 Base-Backbone interact. energy: -0.000 local terms energy: -28.738543 where: bonds (distance) C4'-P energy: -2.857 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -5.430 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: 6, replica: 5 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -50.888436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.888436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.888436 (E_RNA) where: Base-Base interactions energy: -16.734 where: short stacking energy: -12.353 Base-Backbone interact. energy: -0.993 local terms energy: -33.160897 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -6.361 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: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -41.411681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.411681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.411681 (E_RNA) where: Base-Base interactions energy: -16.505 where: short stacking energy: -7.387 Base-Backbone interact. energy: -0.056 local terms energy: -24.850441 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -3.274 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -0.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -42.181629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.181629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.181629 (E_RNA) where: Base-Base interactions energy: -19.383 where: short stacking energy: -19.224 Base-Backbone interact. energy: -0.008 local terms energy: -22.790613 where: bonds (distance) C4'-P energy: -5.373 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -3.937 tors. eta vs tors. theta energy: -1.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -45.671605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.671605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.671605 (E_RNA) where: Base-Base interactions energy: -21.986 where: short stacking energy: -21.986 Base-Backbone interact. energy: -0.000 local terms energy: -23.685945 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -2.398 tors. eta vs tors. theta energy: -2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -39.179253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.179253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.179253 (E_RNA) where: Base-Base interactions energy: -14.411 where: short stacking energy: -14.411 Base-Backbone interact. energy: 1.542 local terms energy: -26.310280 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.745 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -1.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -79.064207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.064207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.064207 (E_RNA) where: Base-Base interactions energy: -44.378 where: short stacking energy: -26.595 Base-Backbone interact. energy: 0.510 local terms energy: -35.195768 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -6.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -63.194277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.194277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.194277 (E_RNA) where: Base-Base interactions energy: -28.697 where: short stacking energy: -28.697 Base-Backbone interact. energy: -0.045 local terms energy: -34.452779 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -5.307 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: 3, replica: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -61.755865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.755865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.755865 (E_RNA) where: Base-Base interactions energy: -32.162 where: short stacking energy: -16.331 Base-Backbone interact. energy: -0.000 local terms energy: -29.593371 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -2.959 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: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -71.161190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.161190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.161190 (E_RNA) where: Base-Base interactions energy: -37.318 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.383 local terms energy: -33.460289 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -3.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -49.028930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.028930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.028930 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -15.834 Base-Backbone interact. energy: -0.000 local terms energy: -26.112652 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -0.793 tors. eta vs tors. theta energy: -3.316 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: 2 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -49.677046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.677046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.677046 (E_RNA) where: Base-Base interactions energy: -21.963 where: short stacking energy: -21.684 Base-Backbone interact. energy: -0.186 local terms energy: -27.527948 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -47.256221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.256221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.256221 (E_RNA) where: Base-Base interactions energy: -22.444 where: short stacking energy: -11.122 Base-Backbone interact. energy: -0.223 local terms energy: -24.589767 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -5.896 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: 8, replica: 10 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -46.699932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.699932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.699932 (E_RNA) where: Base-Base interactions energy: -18.280 where: short stacking energy: -18.680 Base-Backbone interact. energy: -0.003 local terms energy: -28.416546 where: bonds (distance) C4'-P energy: -5.300 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -2.839 tors. eta vs tors. theta energy: -4.112 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: 9 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -45.709880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.709880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.709880 (E_RNA) where: Base-Base interactions energy: -18.721 where: short stacking energy: -18.721 Base-Backbone interact. energy: -0.001 local terms energy: -26.988354 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -2.113 tors. eta vs tors. theta energy: -1.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -41.329872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.329872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.329872 (E_RNA) where: Base-Base interactions energy: -14.693 where: short stacking energy: -14.693 Base-Backbone interact. energy: -0.042 local terms energy: -26.594572 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -4.079 tors. eta vs tors. theta energy: -0.192 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: 4 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -82.417075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.417075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.417075 (E_RNA) where: Base-Base interactions energy: -45.852 where: short stacking energy: -23.153 Base-Backbone interact. energy: -0.004 local terms energy: -36.561227 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -8.726 flat angles P-C4'-P energy: -5.856 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: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -59.225979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.225979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.225979 (E_RNA) where: Base-Base interactions energy: -28.676 where: short stacking energy: -28.676 Base-Backbone interact. energy: -0.003 local terms energy: -30.546701 where: bonds (distance) C4'-P energy: -4.567 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -5.666 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: 3, replica: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -55.189813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.189813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.189813 (E_RNA) where: Base-Base interactions energy: -19.503 where: short stacking energy: -17.301 Base-Backbone interact. energy: -0.009 local terms energy: -35.678398 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.026 flat angles P-C4'-P energy: -4.849 tors. eta vs tors. theta energy: -6.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -61.913323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.913323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.913323 (E_RNA) where: Base-Base interactions energy: -29.250 where: short stacking energy: -24.112 Base-Backbone interact. energy: -0.027 local terms energy: -32.636790 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -6.682 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: 5, replica: 5 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -47.570759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.570759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.570759 (E_RNA) where: Base-Base interactions energy: -18.487 where: short stacking energy: -18.319 Base-Backbone interact. energy: -0.106 local terms energy: -28.977567 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -4.673 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: 6, replica: 8 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -45.389255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.389255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.389255 (E_RNA) where: Base-Base interactions energy: -18.745 where: short stacking energy: -18.745 Base-Backbone interact. energy: -0.087 local terms energy: -26.557051 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -4.469 tors. eta vs tors. theta energy: -2.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -47.466023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.466023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.466023 (E_RNA) where: Base-Base interactions energy: -20.209 where: short stacking energy: -20.209 Base-Backbone interact. energy: 0.201 local terms energy: -27.457628 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -6.957 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -4.424 tors. eta vs tors. theta energy: -3.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -40.407592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.407592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.407592 (E_RNA) where: Base-Base interactions energy: -10.548 where: short stacking energy: -10.548 Base-Backbone interact. energy: -0.111 local terms energy: -29.748779 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -3.372 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -47.397035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.397035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.397035 (E_RNA) where: Base-Base interactions energy: -22.320 where: short stacking energy: -12.551 Base-Backbone interact. energy: -0.166 local terms energy: -24.910791 where: bonds (distance) C4'-P energy: -3.174 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -41.124551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.124551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.124551 (E_RNA) where: Base-Base interactions energy: -12.385 where: short stacking energy: -12.385 Base-Backbone interact. energy: -0.000 local terms energy: -28.739185 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.192 tors. eta vs tors. theta energy: -3.521 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: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -87.725385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.725385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.725385 (E_RNA) where: Base-Base interactions energy: -48.324 where: short stacking energy: -28.910 Base-Backbone interact. energy: -0.000 local terms energy: -39.401232 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -7.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -58.976174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.976174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.976174 (E_RNA) where: Base-Base interactions energy: -24.239 where: short stacking energy: -19.338 Base-Backbone interact. energy: -0.230 local terms energy: -34.506466 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -4.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -63.635197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.635197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.635197 (E_RNA) where: Base-Base interactions energy: -28.522 where: short stacking energy: -27.748 Base-Backbone interact. energy: -0.002 local terms energy: -35.110594 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.692 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: 7 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -53.046857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.046857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.046857 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -14.546 Base-Backbone interact. energy: -0.005 local terms energy: -30.126174 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.105 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -2.645 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: 5 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -56.089110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.089110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.089110 (E_RNA) where: Base-Base interactions energy: -22.792 where: short stacking energy: -22.792 Base-Backbone interact. energy: -0.007 local terms energy: -33.290842 where: bonds (distance) C4'-P energy: -5.638 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -7.630 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: 6, replica: 8 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -52.662701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.662701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.662701 (E_RNA) where: Base-Base interactions energy: -20.686 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.000 local terms energy: -31.976271 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -5.960 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: 7, replica: 9 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -48.492232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.492232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.492232 (E_RNA) where: Base-Base interactions energy: -19.572 where: short stacking energy: -19.572 Base-Backbone interact. energy: -0.050 local terms energy: -28.870660 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -2.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -47.054366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.054366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.054366 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -15.706 Base-Backbone interact. energy: -0.398 local terms energy: -28.865670 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.066 tors. eta vs tors. theta energy: -5.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -43.960889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.960889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.960889 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -17.984 Base-Backbone interact. energy: -0.054 local terms energy: -25.922520 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -4.461 flat angles C4'-P-C4' energy: -6.289 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -4.613 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: 10 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -46.138360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.138360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.138360 (E_RNA) where: Base-Base interactions energy: -19.096 where: short stacking energy: -17.650 Base-Backbone interact. energy: -0.495 local terms energy: -26.547066 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.867 flat angles P-C4'-P energy: -1.394 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: 1, replica: 4 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -82.601431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.601431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.601431 (E_RNA) where: Base-Base interactions energy: -45.386 where: short stacking energy: -29.635 Base-Backbone interact. energy: 0.475 local terms energy: -37.690466 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -6.730 flat angles C4'-P-C4' energy: -9.483 flat angles P-C4'-P energy: -7.254 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -61.831830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.831830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.831830 (E_RNA) where: Base-Base interactions energy: -24.656 where: short stacking energy: -24.656 Base-Backbone interact. energy: -0.000 local terms energy: -37.175355 where: bonds (distance) C4'-P energy: -7.824 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -9.133 flat angles P-C4'-P energy: -3.420 tors. eta vs tors. theta energy: -9.283 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: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -53.791879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.791879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.791879 (E_RNA) where: Base-Base interactions energy: -25.362 where: short stacking energy: -24.189 Base-Backbone interact. energy: -0.002 local terms energy: -28.427833 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -4.690 flat angles P-C4'-P energy: -1.635 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: 4, replica: 5 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -54.303263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.303263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.303263 (E_RNA) where: Base-Base interactions energy: -24.443 where: short stacking energy: -24.443 Base-Backbone interact. energy: -0.010 local terms energy: -29.849862 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -49.457412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.457412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.457412 (E_RNA) where: Base-Base interactions energy: -20.642 where: short stacking energy: -20.470 Base-Backbone interact. energy: -0.930 local terms energy: -27.885948 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -4.363 tors. eta vs tors. theta energy: -3.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -48.620967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.620967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.620967 (E_RNA) where: Base-Base interactions energy: -16.911 where: short stacking energy: -16.911 Base-Backbone interact. energy: -0.027 local terms energy: -31.683621 where: bonds (distance) C4'-P energy: -2.905 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -4.547 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: 7, replica: 8 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -46.749528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749528 (E_RNA) where: Base-Base interactions energy: -15.909 where: short stacking energy: -11.377 Base-Backbone interact. energy: 0.552 local terms energy: -31.391950 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -0.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -44.936089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.936089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.936089 (E_RNA) where: Base-Base interactions energy: -17.414 where: short stacking energy: -17.414 Base-Backbone interact. energy: -0.000 local terms energy: -27.521566 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -0.911 tors. eta vs tors. theta energy: -3.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -48.008976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008976 (E_RNA) where: Base-Base interactions energy: -18.080 where: short stacking energy: -18.080 Base-Backbone interact. energy: -0.091 local terms energy: -29.837962 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -1.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -43.385149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.385149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.385149 (E_RNA) where: Base-Base interactions energy: -17.976 where: short stacking energy: -17.976 Base-Backbone interact. energy: -0.008 local terms energy: -25.401018 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -4.383 flat angles P-C4'-P energy: -1.995 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: 1 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -57.602075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.602075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.602075 (E_RNA) where: Base-Base interactions energy: -23.230 where: short stacking energy: -22.054 Base-Backbone interact. energy: -0.371 local terms energy: -34.000823 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -4.822 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: 146 Temperature: 0.950000 Total energy: -77.157645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.157645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.157645 (E_RNA) where: Base-Base interactions energy: -44.804 where: short stacking energy: -25.271 Base-Backbone interact. energy: -0.003 local terms energy: -32.350841 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -2.224 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: 146 Temperature: 1.000000 Total energy: -62.846805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.846805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.846805 (E_RNA) where: Base-Base interactions energy: -29.333 where: short stacking energy: -29.333 Base-Backbone interact. energy: -0.000 local terms energy: -33.514150 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -7.781 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.197 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: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -45.371968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.371968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.371968 (E_RNA) where: Base-Base interactions energy: -16.579 where: short stacking energy: -15.687 Base-Backbone interact. energy: -0.064 local terms energy: -28.729047 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.116 flat angles P-C4'-P energy: -2.891 tors. eta vs tors. theta energy: -1.519 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: 9 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -50.592806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.592806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.592806 (E_RNA) where: Base-Base interactions energy: -20.506 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.108 local terms energy: -29.978703 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -5.474 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -4.089 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: 146 Temperature: 1.150000 Total energy: -51.552476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.552476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.552476 (E_RNA) where: Base-Base interactions energy: -21.471 where: short stacking energy: -17.000 Base-Backbone interact. energy: -0.069 local terms energy: -30.012353 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -5.447 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: 7, replica: 8 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -48.329104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.329104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.329104 (E_RNA) where: Base-Base interactions energy: -15.981 where: short stacking energy: -11.471 Base-Backbone interact. energy: -0.132 local terms energy: -32.215815 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.877 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -4.090 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: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -43.041478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.041478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.041478 (E_RNA) where: Base-Base interactions energy: -13.969 where: short stacking energy: -13.969 Base-Backbone interact. energy: -0.014 local terms energy: -29.058174 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -3.820 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: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -44.203984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.203984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.203984 (E_RNA) where: Base-Base interactions energy: -16.360 where: short stacking energy: -16.154 Base-Backbone interact. energy: -0.058 local terms energy: -27.786278 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: 0.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -36.920154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.920154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.920154 (E_RNA) where: Base-Base interactions energy: -11.769 where: short stacking energy: -11.769 Base-Backbone interact. energy: -0.129 local terms energy: -25.021914 where: bonds (distance) C4'-P energy: -5.708 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.687 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: 1, replica: 1 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -57.205607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.205607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.205607 (E_RNA) where: Base-Base interactions energy: -26.816 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.148 local terms energy: -30.241903 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -3.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -65.855471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.855471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.855471 (E_RNA) where: Base-Base interactions energy: -31.949 where: short stacking energy: -23.802 Base-Backbone interact. energy: -0.002 local terms energy: -33.905065 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -6.168 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: 4 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -56.567948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.567948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.567948 (E_RNA) where: Base-Base interactions energy: -28.277 where: short stacking energy: -28.277 Base-Backbone interact. energy: -0.081 local terms energy: -28.210044 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -54.270513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.270513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.270513 (E_RNA) where: Base-Base interactions energy: -23.794 where: short stacking energy: -23.794 Base-Backbone interact. energy: 2.338 local terms energy: -32.814633 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -4.999 flat angles P-C4'-P energy: -4.102 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -47.820267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.820267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.820267 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -11.928 Base-Backbone interact. energy: -0.000 local terms energy: -32.040058 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -4.546 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: -6.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -52.843331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.843331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.843331 (E_RNA) where: Base-Base interactions energy: -18.679 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.000 local terms energy: -34.163929 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -4.242 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: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -50.281110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.281110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.281110 (E_RNA) where: Base-Base interactions energy: -16.301 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.001 local terms energy: -33.979194 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -9.039 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -47.670438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.670438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.670438 (E_RNA) where: Base-Base interactions energy: -16.884 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.000 local terms energy: -30.785959 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -4.637 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: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -40.674395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.674395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.674395 (E_RNA) where: Base-Base interactions energy: -11.597 where: short stacking energy: -11.327 Base-Backbone interact. energy: -0.007 local terms energy: -29.070743 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -3.281 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: 10, replica: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -43.940446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.940446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.940446 (E_RNA) where: Base-Base interactions energy: -14.623 where: short stacking energy: -14.623 Base-Backbone interact. energy: -0.105 local terms energy: -29.212388 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -63.071599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.071599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.071599 (E_RNA) where: Base-Base interactions energy: -30.389 where: short stacking energy: -24.828 Base-Backbone interact. energy: -0.014 local terms energy: -32.668047 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -3.629 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: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -58.975654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.975654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.975654 (E_RNA) where: Base-Base interactions energy: -22.846 where: short stacking energy: -22.846 Base-Backbone interact. energy: -0.020 local terms energy: -36.109895 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -5.951 tors. eta vs tors. theta energy: -5.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -59.085846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.085846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.085846 (E_RNA) where: Base-Base interactions energy: -24.133 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.056 local terms energy: -34.896226 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -3.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -56.587246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.587246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.587246 (E_RNA) where: Base-Base interactions energy: -19.435 where: short stacking energy: -19.435 Base-Backbone interact. energy: -0.057 local terms energy: -37.094849 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -5.708 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: 8 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -60.475682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.475682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.475682 (E_RNA) where: Base-Base interactions energy: -27.546 where: short stacking energy: -27.546 Base-Backbone interact. energy: -0.026 local terms energy: -32.903495 where: bonds (distance) C4'-P energy: -7.165 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -3.891 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: 6, replica: 6 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -54.125429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.125429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.125429 (E_RNA) where: Base-Base interactions energy: -18.651 where: short stacking energy: -18.651 Base-Backbone interact. energy: -0.000 local terms energy: -35.474885 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -5.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -56.406975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.406975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.406975 (E_RNA) where: Base-Base interactions energy: -23.179 where: short stacking energy: -23.003 Base-Backbone interact. energy: -0.002 local terms energy: -33.226040 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -7.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -45.997856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.997856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.997856 (E_RNA) where: Base-Base interactions energy: -19.100 where: short stacking energy: -19.100 Base-Backbone interact. energy: 0.043 local terms energy: -26.940556 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -6.101 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: 9, replica: 2 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -41.088578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.088578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.088578 (E_RNA) where: Base-Base interactions energy: -24.537 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.003 local terms energy: -16.548646 where: bonds (distance) C4'-P energy: -1.389 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -1.369 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -0.468 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: 3 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -43.203012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.203012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.203012 (E_RNA) where: Base-Base interactions energy: -12.158 where: short stacking energy: -12.158 Base-Backbone interact. energy: -0.001 local terms energy: -31.043830 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -67.275228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.275228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.275228 (E_RNA) where: Base-Base interactions energy: -27.267 where: short stacking energy: -27.267 Base-Backbone interact. energy: -0.000 local terms energy: -40.007960 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -7.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -64.027260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.027260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.027260 (E_RNA) where: Base-Base interactions energy: -25.880 where: short stacking energy: -25.880 Base-Backbone interact. energy: -0.976 local terms energy: -37.171715 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -5.952 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: 3, replica: 5 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -56.840501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.840501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.840501 (E_RNA) where: Base-Base interactions energy: -23.397 where: short stacking energy: -23.397 Base-Backbone interact. energy: -0.050 local terms energy: -33.393609 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -58.894680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.894680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.894680 (E_RNA) where: Base-Base interactions energy: -23.466 where: short stacking energy: -23.466 Base-Backbone interact. energy: -0.004 local terms energy: -35.425348 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -8.242 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: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -52.919941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.919941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.919941 (E_RNA) where: Base-Base interactions energy: -19.658 where: short stacking energy: -19.658 Base-Backbone interact. energy: -0.001 local terms energy: -33.261321 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -4.516 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: 6, replica: 6 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -47.063906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.063906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.063906 (E_RNA) where: Base-Base interactions energy: -20.397 where: short stacking energy: -10.128 Base-Backbone interact. energy: -0.002 local terms energy: -26.665353 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -3.566 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -51.383761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.383761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.383761 (E_RNA) where: Base-Base interactions energy: -16.910 where: short stacking energy: -16.910 Base-Backbone interact. energy: -0.000 local terms energy: -34.473672 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -7.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -49.853892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.853892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.853892 (E_RNA) where: Base-Base interactions energy: -21.516 where: short stacking energy: -21.273 Base-Backbone interact. energy: 0.957 local terms energy: -29.294158 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.078 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -3.972 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: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -45.017202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.017202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.017202 (E_RNA) where: Base-Base interactions energy: -14.461 where: short stacking energy: -14.461 Base-Backbone interact. energy: -0.001 local terms energy: -30.555187 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -41.018818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.018818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.018818 (E_RNA) where: Base-Base interactions energy: -12.933 where: short stacking energy: -12.933 Base-Backbone interact. energy: -0.008 local terms energy: -28.077901 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -2.560 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -69.170730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.170730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.170730 (E_RNA) where: Base-Base interactions energy: -33.637 where: short stacking energy: -33.637 Base-Backbone interact. energy: -0.000 local terms energy: -35.533937 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -9.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -59.779277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.779277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.779277 (E_RNA) where: Base-Base interactions energy: -26.617 where: short stacking energy: -27.187 Base-Backbone interact. energy: -0.015 local terms energy: -33.147210 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.502 flat angles P-C4'-P energy: -4.792 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: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -54.862462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.862462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.862462 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.000 local terms energy: -34.617371 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -5.360 tors. eta vs tors. theta energy: -4.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -58.186391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.186391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.186391 (E_RNA) where: Base-Base interactions energy: -21.223 where: short stacking energy: -21.223 Base-Backbone interact. energy: -0.001 local terms energy: -36.962941 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.612 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -48.449074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.449074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.449074 (E_RNA) where: Base-Base interactions energy: -19.740 where: short stacking energy: -19.740 Base-Backbone interact. energy: -0.033 local terms energy: -28.676232 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -2.816 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -3.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -48.568140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.568140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.568140 (E_RNA) where: Base-Base interactions energy: -15.138 where: short stacking energy: -15.138 Base-Backbone interact. energy: -0.013 local terms energy: -33.416533 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -1.989 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: 7, replica: 7 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -45.710368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.710368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.710368 (E_RNA) where: Base-Base interactions energy: -15.526 where: short stacking energy: -15.526 Base-Backbone interact. energy: -0.052 local terms energy: -30.131643 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -2.757 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: 8, replica: 10 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -51.423260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.423260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.423260 (E_RNA) where: Base-Base interactions energy: -19.828 where: short stacking energy: -19.828 Base-Backbone interact. energy: -0.001 local terms energy: -31.593651 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -4.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -53.388434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.388434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.388434 (E_RNA) where: Base-Base interactions energy: -23.411 where: short stacking energy: -23.411 Base-Backbone interact. energy: -0.039 local terms energy: -29.937994 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -6.100 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -4.134 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: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -41.447983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.447983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.447983 (E_RNA) where: Base-Base interactions energy: -18.656 where: short stacking energy: -18.656 Base-Backbone interact. energy: -0.106 local terms energy: -22.685895 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -6.591 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -1.552 tors. eta vs tors. theta energy: -4.793 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: 1, replica: 1 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -67.437120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.437120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.437120 (E_RNA) where: Base-Base interactions energy: -30.186 where: short stacking energy: -30.186 Base-Backbone interact. energy: -0.001 local terms energy: -37.250688 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -6.042 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: 2, replica: 8 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -81.342788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.342788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.342788 (E_RNA) where: Base-Base interactions energy: -45.403 where: short stacking energy: -29.885 Base-Backbone interact. energy: -0.000 local terms energy: -35.939678 where: bonds (distance) C4'-P energy: -6.186 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -5.307 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: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -56.172362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.172362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.172362 (E_RNA) where: Base-Base interactions energy: -24.519 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.009 local terms energy: -31.644198 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -6.270 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: 6 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -59.567448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.567448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.567448 (E_RNA) where: Base-Base interactions energy: -25.251 where: short stacking energy: -25.035 Base-Backbone interact. energy: -0.013 local terms energy: -34.303383 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.536 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: 5, replica: 5 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -52.420323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.420323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.420323 (E_RNA) where: Base-Base interactions energy: -23.183 where: short stacking energy: -15.585 Base-Backbone interact. energy: -0.066 local terms energy: -29.171774 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -3.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -46.079648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.079648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.079648 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.084 local terms energy: -27.976453 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -1.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -48.418275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.418275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.418275 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.000 local terms energy: -28.840083 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -5.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -47.722534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.722534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.722534 (E_RNA) where: Base-Base interactions energy: -21.130 where: short stacking energy: -9.851 Base-Backbone interact. energy: -0.599 local terms energy: -25.993411 where: bonds (distance) C4'-P energy: -4.917 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -0.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -44.773297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.773297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.773297 (E_RNA) where: Base-Base interactions energy: -16.342 where: short stacking energy: -16.342 Base-Backbone interact. energy: -0.115 local terms energy: -28.316062 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.074 flat angles P-C4'-P energy: -5.391 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: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -39.384121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.384121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.384121 (E_RNA) where: Base-Base interactions energy: -17.813 where: short stacking energy: -14.866 Base-Backbone interact. energy: -0.003 local terms energy: -21.568705 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -4.573 flat angles P-C4'-P energy: -3.142 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: 1, replica: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -77.094684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.094684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.094684 (E_RNA) where: Base-Base interactions energy: -42.465 where: short stacking energy: -27.308 Base-Backbone interact. energy: -0.003 local terms energy: -34.626604 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -5.671 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: 2, replica: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -62.496848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.496848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.496848 (E_RNA) where: Base-Base interactions energy: -30.217 where: short stacking energy: -22.961 Base-Backbone interact. energy: -0.115 local terms energy: -32.164448 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.238 flat angles P-C4'-P energy: -3.508 tors. eta vs tors. theta energy: -3.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -57.607740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.607740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.607740 (E_RNA) where: Base-Base interactions energy: -25.005 where: short stacking energy: -25.005 Base-Backbone interact. energy: -0.028 local terms energy: -32.574668 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -2.175 tors. eta vs tors. theta energy: -6.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -50.859627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.859627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.859627 (E_RNA) where: Base-Base interactions energy: -18.840 where: short stacking energy: -18.840 Base-Backbone interact. energy: -0.099 local terms energy: -31.920214 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.149 flat angles P-C4'-P energy: -2.753 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: 5, replica: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -51.965655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.965655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.965655 (E_RNA) where: Base-Base interactions energy: -23.802 where: short stacking energy: -19.998 Base-Backbone interact. energy: -0.008 local terms energy: -28.155057 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -3.674 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: 6, replica: 5 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -54.362575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.362575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.362575 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -20.022 Base-Backbone interact. energy: -0.024 local terms energy: -34.166822 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -2.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -47.846502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846502 (E_RNA) where: Base-Base interactions energy: -22.687 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.125 local terms energy: -25.034628 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.281 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: 7 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -47.105529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.105529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.105529 (E_RNA) where: Base-Base interactions energy: -16.427 where: short stacking energy: -16.427 Base-Backbone interact. energy: -0.001 local terms energy: -30.677276 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -4.480 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: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -56.701115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.701115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.701115 (E_RNA) where: Base-Base interactions energy: -20.421 where: short stacking energy: -20.421 Base-Backbone interact. energy: -0.002 local terms energy: -36.278528 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -7.848 tors. eta vs tors. theta energy: -8.622 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: 152 Temperature: 1.350000 Total energy: -37.179213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.179213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.179213 (E_RNA) where: Base-Base interactions energy: -17.999 where: short stacking energy: -18.048 Base-Backbone interact. energy: 0.120 local terms energy: -19.300531 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -3.074 flat angles C4'-P-C4' energy: -5.520 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: 1.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -76.111725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.111725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.111725 (E_RNA) where: Base-Base interactions energy: -37.131 where: short stacking energy: -28.476 Base-Backbone interact. energy: -0.000 local terms energy: -38.980779 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -4.878 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: 6 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -57.500441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.500441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.500441 (E_RNA) where: Base-Base interactions energy: -23.133 where: short stacking energy: -23.133 Base-Backbone interact. energy: 0.139 local terms energy: -34.505770 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -7.943 tors. eta vs tors. theta energy: -2.304 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: 3, replica: 1 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -53.666416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.666416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.666416 (E_RNA) where: Base-Base interactions energy: -21.241 where: short stacking energy: -17.277 Base-Backbone interact. energy: -0.001 local terms energy: -32.425247 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -3.488 tors. eta vs tors. theta energy: -6.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -61.146663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.146663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.146663 (E_RNA) where: Base-Base interactions energy: -26.375 where: short stacking energy: -26.375 Base-Backbone interact. energy: -0.000 local terms energy: -34.771104 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -9.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -52.459307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.459307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.459307 (E_RNA) where: Base-Base interactions energy: -18.733 where: short stacking energy: -18.296 Base-Backbone interact. energy: 0.188 local terms energy: -33.913829 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.380 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -4.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -53.068559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.068559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.068559 (E_RNA) where: Base-Base interactions energy: -19.904 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.001 local terms energy: -33.163997 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.120 flat angles P-C4'-P energy: -5.557 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: 7, replica: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -43.026967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.026967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.026967 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -16.637 Base-Backbone interact. energy: -0.083 local terms energy: -25.555245 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -4.172 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.066 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: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -45.127565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.127565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.127565 (E_RNA) where: Base-Base interactions energy: -16.064 where: short stacking energy: -16.064 Base-Backbone interact. energy: -0.039 local terms energy: -29.024803 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -5.973 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -6.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -41.817351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.817351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.817351 (E_RNA) where: Base-Base interactions energy: -13.582 where: short stacking energy: -13.582 Base-Backbone interact. energy: -0.000 local terms energy: -28.235555 where: bonds (distance) C4'-P energy: -8.415 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -2.022 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: 10, replica: 10 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -38.921321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.921321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.921321 (E_RNA) where: Base-Base interactions energy: -12.478 where: short stacking energy: -11.995 Base-Backbone interact. energy: -0.054 local terms energy: -26.389832 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -5.414 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: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -62.857991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.857991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.857991 (E_RNA) where: Base-Base interactions energy: -26.603 where: short stacking energy: -26.603 Base-Backbone interact. energy: -0.104 local terms energy: -36.151336 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -8.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -70.180115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.180115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.180115 (E_RNA) where: Base-Base interactions energy: -34.315 where: short stacking energy: -26.223 Base-Backbone interact. energy: -0.221 local terms energy: -35.644821 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -5.951 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: 3, replica: 4 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -77.453951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.453951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.453951 (E_RNA) where: Base-Base interactions energy: -48.187 where: short stacking energy: -22.123 Base-Backbone interact. energy: 0.240 local terms energy: -29.507035 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -6.078 flat angles P-C4'-P energy: -5.084 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: 4, replica: 1 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -48.970632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.970632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.970632 (E_RNA) where: Base-Base interactions energy: -17.420 where: short stacking energy: -17.420 Base-Backbone interact. energy: -0.070 local terms energy: -31.480365 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -4.591 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: 5, replica: 3 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -52.907911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.907911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.907911 (E_RNA) where: Base-Base interactions energy: -21.787 where: short stacking energy: -21.787 Base-Backbone interact. energy: -0.067 local terms energy: -31.054140 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -4.840 flat angles P-C4'-P energy: -4.130 tors. eta vs tors. theta energy: -7.304 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: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -43.593827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.593827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.593827 (E_RNA) where: Base-Base interactions energy: -15.830 where: short stacking energy: -15.830 Base-Backbone interact. energy: 0.482 local terms energy: -28.245442 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.258 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -3.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -49.368059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.368059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.368059 (E_RNA) where: Base-Base interactions energy: -17.144 where: short stacking energy: -17.144 Base-Backbone interact. energy: -0.011 local terms energy: -32.213286 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -5.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -48.174858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.174858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.174858 (E_RNA) where: Base-Base interactions energy: -18.930 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.088 local terms energy: -29.157277 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -4.832 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: 9, replica: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -51.419913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.419913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.419913 (E_RNA) where: Base-Base interactions energy: -23.926 where: short stacking energy: -23.926 Base-Backbone interact. energy: -0.000 local terms energy: -27.494097 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -2.854 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: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -39.611881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.611881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.611881 (E_RNA) where: Base-Base interactions energy: -9.505 where: short stacking energy: -9.505 Base-Backbone interact. energy: -0.590 local terms energy: -29.516840 where: bonds (distance) C4'-P energy: -6.353 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -1.610 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: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -68.178195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.178195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.178195 (E_RNA) where: Base-Base interactions energy: -30.243 where: short stacking energy: -30.243 Base-Backbone interact. energy: -0.007 local terms energy: -37.928942 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -9.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -75.054616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.054616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.054616 (E_RNA) where: Base-Base interactions energy: -44.909 where: short stacking energy: -18.177 Base-Backbone interact. energy: -0.444 local terms energy: -29.701860 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -2.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -66.332002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.332002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.332002 (E_RNA) where: Base-Base interactions energy: -38.090 where: short stacking energy: -19.471 Base-Backbone interact. energy: -0.122 local terms energy: -28.120181 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -4.285 tors. eta vs tors. theta energy: -1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -60.289627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.289627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.289627 (E_RNA) where: Base-Base interactions energy: -28.695 where: short stacking energy: -17.089 Base-Backbone interact. energy: -0.250 local terms energy: -31.344862 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.494 flat angles P-C4'-P energy: -2.589 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -54.938554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.938554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.938554 (E_RNA) where: Base-Base interactions energy: -23.791 where: short stacking energy: -20.992 Base-Backbone interact. energy: -0.071 local terms energy: -31.075906 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.667 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: 6, replica: 2 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -54.274636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.274636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.274636 (E_RNA) where: Base-Base interactions energy: -23.289 where: short stacking energy: -23.289 Base-Backbone interact. energy: 0.655 local terms energy: -31.640534 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -5.812 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -5.534 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: 7, replica: 9 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -45.001910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.001910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.001910 (E_RNA) where: Base-Base interactions energy: -17.073 where: short stacking energy: -17.073 Base-Backbone interact. energy: -0.223 local terms energy: -27.705634 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -0.604 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: 8, replica: 10 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -45.873586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.873586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.873586 (E_RNA) where: Base-Base interactions energy: -13.364 where: short stacking energy: -13.364 Base-Backbone interact. energy: -0.094 local terms energy: -32.415114 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -3.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -42.236829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.236829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.236829 (E_RNA) where: Base-Base interactions energy: -13.215 where: short stacking energy: -13.215 Base-Backbone interact. energy: -0.042 local terms energy: -28.979618 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -6.453 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -5.772 tors. eta vs tors. theta energy: -1.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -43.031814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.031814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.031814 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.001 local terms energy: -23.591453 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -2.219 flat angles P-C4'-P energy: -4.450 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: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -73.991314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.991314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.991314 (E_RNA) where: Base-Base interactions energy: -40.159 where: short stacking energy: -23.772 Base-Backbone interact. energy: -1.055 local terms energy: -32.777591 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -4.764 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: 2, replica: 6 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -62.734090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.734090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.734090 (E_RNA) where: Base-Base interactions energy: -28.250 where: short stacking energy: -28.250 Base-Backbone interact. energy: -0.000 local terms energy: -34.483936 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -4.071 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -67.571009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.571009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.571009 (E_RNA) where: Base-Base interactions energy: -33.829 where: short stacking energy: -31.028 Base-Backbone interact. energy: -0.000 local terms energy: -33.742353 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -3.700 flat angles P-C4'-P energy: -7.011 tors. eta vs tors. theta energy: -8.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -57.048701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.048701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.048701 (E_RNA) where: Base-Base interactions energy: -25.954 where: short stacking energy: -15.039 Base-Backbone interact. energy: -0.101 local terms energy: -30.993255 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -3.669 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -58.289397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.289397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.289397 (E_RNA) where: Base-Base interactions energy: -28.373 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.002 local terms energy: -29.914086 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.559 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -47.884854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.884854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.884854 (E_RNA) where: Base-Base interactions energy: -18.026 where: short stacking energy: -18.026 Base-Backbone interact. energy: -0.000 local terms energy: -29.858987 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -5.608 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -43.785864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.785864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.785864 (E_RNA) where: Base-Base interactions energy: -15.521 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.051 local terms energy: -28.213645 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -7.062 tors. eta vs tors. theta energy: -1.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -44.068228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.068228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.068228 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -12.831 Base-Backbone interact. energy: -0.191 local terms energy: -25.868488 where: bonds (distance) C4'-P energy: -5.360 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -45.650113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.650113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.650113 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -20.189 Base-Backbone interact. energy: -0.031 local terms energy: -25.430817 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -3.924 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -4.489 tors. eta vs tors. theta energy: -2.301 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: 156 Temperature: 1.350000 Total energy: -43.817533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.817533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.817533 (E_RNA) where: Base-Base interactions energy: -25.130 where: short stacking energy: -6.245 Base-Backbone interact. energy: -0.010 local terms energy: -18.677731 where: bonds (distance) C4'-P energy: -5.021 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.981 flat angles P-C4'-P energy: -2.791 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: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -80.431460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.431460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.431460 (E_RNA) where: Base-Base interactions energy: -45.630 where: short stacking energy: -34.094 Base-Backbone interact. energy: -0.000 local terms energy: -34.801391 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -7.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -60.687603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.687603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.687603 (E_RNA) where: Base-Base interactions energy: -26.832 where: short stacking energy: -26.832 Base-Backbone interact. energy: -0.001 local terms energy: -33.854244 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -3.150 tors. eta vs tors. theta energy: -5.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -61.838784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838784 (E_RNA) where: Base-Base interactions energy: -25.679 where: short stacking energy: -25.679 Base-Backbone interact. energy: -0.000 local terms energy: -36.159404 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.383 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -5.749 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: 4, replica: 8 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -64.043412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.043412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.043412 (E_RNA) where: Base-Base interactions energy: -27.902 where: short stacking energy: -27.902 Base-Backbone interact. energy: -0.000 local terms energy: -36.141723 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.740 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -45.519150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.519150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.519150 (E_RNA) where: Base-Base interactions energy: -21.475 where: short stacking energy: -10.745 Base-Backbone interact. energy: -0.068 local terms energy: -23.976436 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -4.934 tors. eta vs tors. theta energy: -2.005 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: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -51.552042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.552042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.552042 (E_RNA) where: Base-Base interactions energy: -21.532 where: short stacking energy: -21.532 Base-Backbone interact. energy: -0.126 local terms energy: -29.894117 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -3.839 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.641 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: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -51.441788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.441788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.441788 (E_RNA) where: Base-Base interactions energy: -19.313 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.069 local terms energy: -32.060529 where: bonds (distance) C4'-P energy: -7.084 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -5.743 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: 8, replica: 9 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -40.717242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.717242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.717242 (E_RNA) where: Base-Base interactions energy: -10.962 where: short stacking energy: -10.962 Base-Backbone interact. energy: -0.054 local terms energy: -29.701254 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -0.235 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: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -45.557094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.557094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.557094 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -15.214 Base-Backbone interact. energy: -0.006 local terms energy: -28.775856 where: bonds (distance) C4'-P energy: -2.695 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -5.232 tors. eta vs tors. theta energy: -5.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -41.299738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.299738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.299738 (E_RNA) where: Base-Base interactions energy: -11.876 where: short stacking energy: -11.876 Base-Backbone interact. energy: -0.373 local terms energy: -29.050092 where: bonds (distance) C4'-P energy: -4.644 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -3.625 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: 1, replica: 4 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -80.989006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.989006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.989006 (E_RNA) where: Base-Base interactions energy: -43.798 where: short stacking energy: -30.337 Base-Backbone interact. energy: 0.084 local terms energy: -37.275116 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -7.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -58.650564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.650564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.650564 (E_RNA) where: Base-Base interactions energy: -21.677 where: short stacking energy: -21.677 Base-Backbone interact. energy: -0.000 local terms energy: -36.973825 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -7.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -64.821094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.821094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.821094 (E_RNA) where: Base-Base interactions energy: -32.216 where: short stacking energy: -22.150 Base-Backbone interact. energy: -0.001 local terms energy: -32.603288 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -5.570 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: 4, replica: 3 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -58.141220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.141220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.141220 (E_RNA) where: Base-Base interactions energy: -25.062 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.096 local terms energy: -32.983070 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -2.981 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: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -64.960534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.960534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.960534 (E_RNA) where: Base-Base interactions energy: -25.425 where: short stacking energy: -24.790 Base-Backbone interact. energy: -0.027 local terms energy: -39.509450 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -5.294 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: 6, replica: 2 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -51.263306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.263306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.263306 (E_RNA) where: Base-Base interactions energy: -19.614 where: short stacking energy: -19.614 Base-Backbone interact. energy: -0.000 local terms energy: -31.649177 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -3.040 tors. eta vs tors. theta energy: -4.658 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: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -47.251440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.251440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.251440 (E_RNA) where: Base-Base interactions energy: -14.938 where: short stacking energy: -14.172 Base-Backbone interact. energy: 0.728 local terms energy: -33.041299 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -6.709 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: 8, replica: 9 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -44.174115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.174115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.174115 (E_RNA) where: Base-Base interactions energy: -18.177 where: short stacking energy: -18.177 Base-Backbone interact. energy: -0.033 local terms energy: -25.964593 where: bonds (distance) C4'-P energy: -6.407 bonds (distance) P-C4' energy: -4.167 flat angles C4'-P-C4' energy: -7.928 flat angles P-C4'-P energy: -3.951 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: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -41.233063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.233063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.233063 (E_RNA) where: Base-Base interactions energy: -16.866 where: short stacking energy: -12.438 Base-Backbone interact. energy: -0.065 local terms energy: -24.302130 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -6.452 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -5.473 tors. eta vs tors. theta energy: -0.204 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: 7 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -41.332368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.332368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.332368 (E_RNA) where: Base-Base interactions energy: -16.129 where: short stacking energy: -14.026 Base-Backbone interact. energy: -0.147 local terms energy: -25.056128 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.665 flat angles P-C4'-P energy: -1.253 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: 1, replica: 4 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -81.732310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.732310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.732310 (E_RNA) where: Base-Base interactions energy: -46.149 where: short stacking energy: -30.801 Base-Backbone interact. energy: -0.001 local terms energy: -35.582298 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -5.863 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: 2, replica: 6 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -59.838353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.838353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.838353 (E_RNA) where: Base-Base interactions energy: -23.499 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.000 local terms energy: -36.339314 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -5.981 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: 3, replica: 8 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -69.904284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.904284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.904284 (E_RNA) where: Base-Base interactions energy: -31.408 where: short stacking energy: -31.408 Base-Backbone interact. energy: -0.000 local terms energy: -38.496343 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -11.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -59.216210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.216210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.216210 (E_RNA) where: Base-Base interactions energy: -27.253 where: short stacking energy: -27.253 Base-Backbone interact. energy: -0.077 local terms energy: -31.886158 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -3.185 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: 5, replica: 3 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -66.561550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.561550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.561550 (E_RNA) where: Base-Base interactions energy: -28.800 where: short stacking energy: -28.800 Base-Backbone interact. energy: -0.000 local terms energy: -37.761029 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -50.384946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.384946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.384946 (E_RNA) where: Base-Base interactions energy: -20.462 where: short stacking energy: -15.748 Base-Backbone interact. energy: -0.321 local terms energy: -29.601723 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.038 flat angles P-C4'-P energy: -4.032 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: 7, replica: 2 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -52.410295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.410295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.410295 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -20.674 Base-Backbone interact. energy: -0.539 local terms energy: -30.841295 where: bonds (distance) C4'-P energy: -4.992 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.830 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -47.118967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.118967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.118967 (E_RNA) where: Base-Base interactions energy: -17.784 where: short stacking energy: -17.784 Base-Backbone interact. energy: -0.000 local terms energy: -29.335100 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -2.677 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: 9, replica: 9 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -47.934916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.934916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.934916 (E_RNA) where: Base-Base interactions energy: -18.043 where: short stacking energy: -18.043 Base-Backbone interact. energy: -0.033 local terms energy: -29.859518 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -5.067 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: 10, replica: 7 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -39.765492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.765492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.765492 (E_RNA) where: Base-Base interactions energy: -14.476 where: short stacking energy: -7.966 Base-Backbone interact. energy: -0.708 local terms energy: -24.582196 where: bonds (distance) C4'-P energy: -3.132 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: 0.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -75.022478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.022478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.022478 (E_RNA) where: Base-Base interactions energy: -33.708 where: short stacking energy: -33.708 Base-Backbone interact. energy: -0.000 local terms energy: -41.314409 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -9.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -68.144657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.144657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.144657 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.022 local terms energy: -38.228966 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -9.045 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -9.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -60.640351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.640351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.640351 (E_RNA) where: Base-Base interactions energy: -22.742 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.001 local terms energy: -37.897817 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.569 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -5.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -65.685418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.685418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.685418 (E_RNA) where: Base-Base interactions energy: -33.980 where: short stacking energy: -17.194 Base-Backbone interact. energy: -0.114 local terms energy: -31.591111 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -4.797 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: 5, replica: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -55.683624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.683624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.683624 (E_RNA) where: Base-Base interactions energy: -20.459 where: short stacking energy: -20.459 Base-Backbone interact. energy: -0.000 local terms energy: -35.224445 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -4.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -54.689864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.689864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.689864 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -23.035 Base-Backbone interact. energy: -0.062 local terms energy: -30.506255 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.257 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -2.940 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: 2 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -47.256490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.256490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.256490 (E_RNA) where: Base-Base interactions energy: -20.402 where: short stacking energy: -20.402 Base-Backbone interact. energy: -0.000 local terms energy: -26.854630 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.541 flat angles P-C4'-P energy: -4.340 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -46.078364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.078364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.078364 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -18.360 Base-Backbone interact. energy: -0.005 local terms energy: -22.246593 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.532 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -1.549 tors. eta vs tors. theta energy: -0.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -43.304955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.304955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.304955 (E_RNA) where: Base-Base interactions energy: -17.813 where: short stacking energy: -14.099 Base-Backbone interact. energy: -0.073 local terms energy: -25.418739 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.023 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -3.730 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -36.636751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.636751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.636751 (E_RNA) where: Base-Base interactions energy: -8.647 where: short stacking energy: -8.647 Base-Backbone interact. energy: -0.094 local terms energy: -27.896023 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -2.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -57.138893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.138893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.138893 (E_RNA) where: Base-Base interactions energy: -26.191 where: short stacking energy: -26.191 Base-Backbone interact. energy: -0.000 local terms energy: -30.947793 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -6.236 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -4.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -54.973739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.973739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.973739 (E_RNA) where: Base-Base interactions energy: -22.250 where: short stacking energy: -22.250 Base-Backbone interact. energy: -0.000 local terms energy: -32.723680 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -6.171 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -3.537 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: 3, replica: 4 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -62.164738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.164738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.164738 (E_RNA) where: Base-Base interactions energy: -23.525 where: short stacking energy: -23.525 Base-Backbone interact. energy: -0.099 local terms energy: -38.540581 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.364 flat angles P-C4'-P energy: -6.524 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: 1 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -56.256083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.256083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.256083 (E_RNA) where: Base-Base interactions energy: -23.544 where: short stacking energy: -23.544 Base-Backbone interact. energy: -0.000 local terms energy: -32.712163 where: bonds (distance) C4'-P energy: -6.480 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.308 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: 5, replica: 8 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -51.805284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.805284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.805284 (E_RNA) where: Base-Base interactions energy: -20.122 where: short stacking energy: -20.122 Base-Backbone interact. energy: -0.116 local terms energy: -31.567590 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.522 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: 6, replica: 2 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -49.084330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.084330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.084330 (E_RNA) where: Base-Base interactions energy: -20.297 where: short stacking energy: -16.450 Base-Backbone interact. energy: -0.043 local terms energy: -28.744308 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -41.645457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.645457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.645457 (E_RNA) where: Base-Base interactions energy: -11.917 where: short stacking energy: -12.717 Base-Backbone interact. energy: -0.012 local terms energy: -29.715869 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -1.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -41.682431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.682431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.682431 (E_RNA) where: Base-Base interactions energy: -13.179 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.119 local terms energy: -28.384205 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.286 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: 9, replica: 7 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -47.107504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.107504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.107504 (E_RNA) where: Base-Base interactions energy: -25.777 where: short stacking energy: -21.192 Base-Backbone interact. energy: -0.000 local terms energy: -21.330477 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -4.282 flat angles P-C4'-P energy: -2.199 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -42.049675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.049675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.049675 (E_RNA) where: Base-Base interactions energy: -17.081 where: short stacking energy: -17.081 Base-Backbone interact. energy: -0.061 local terms energy: -24.908294 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.603 flat angles P-C4'-P energy: -0.818 tors. eta vs tors. theta energy: -3.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -60.390360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.390360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.390360 (E_RNA) where: Base-Base interactions energy: -23.288 where: short stacking energy: -23.288 Base-Backbone interact. energy: -0.069 local terms energy: -37.032648 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -6.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -63.914776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.914776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.914776 (E_RNA) where: Base-Base interactions energy: -29.739 where: short stacking energy: -29.739 Base-Backbone interact. energy: -0.001 local terms energy: -34.175485 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -6.549 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: 1 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -58.419541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.419541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.419541 (E_RNA) where: Base-Base interactions energy: -22.979 where: short stacking energy: -22.979 Base-Backbone interact. energy: -0.001 local terms energy: -35.439328 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.824 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: 4, replica: 4 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -56.388106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.388106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.388106 (E_RNA) where: Base-Base interactions energy: -28.019 where: short stacking energy: -19.325 Base-Backbone interact. energy: -0.003 local terms energy: -28.365749 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -3.515 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: 5, replica: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -56.294696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.294696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.294696 (E_RNA) where: Base-Base interactions energy: -23.240 where: short stacking energy: -23.240 Base-Backbone interact. energy: -0.029 local terms energy: -33.025438 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -3.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -44.476977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.476977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.476977 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -14.646 Base-Backbone interact. energy: -0.105 local terms energy: -29.726271 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -0.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -54.604351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.604351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.604351 (E_RNA) where: Base-Base interactions energy: -22.614 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.009 local terms energy: -31.981342 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -5.137 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: 8, replica: 3 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -48.436992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.436992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.436992 (E_RNA) where: Base-Base interactions energy: -20.837 where: short stacking energy: -19.127 Base-Backbone interact. energy: -0.071 local terms energy: -27.529659 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -5.383 flat angles C4'-P-C4' energy: -8.800 flat angles P-C4'-P energy: -0.584 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: 9, replica: 9 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -46.040676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.040676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.040676 (E_RNA) where: Base-Base interactions energy: -18.872 where: short stacking energy: -18.872 Base-Backbone interact. energy: -0.001 local terms energy: -27.167478 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -0.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -41.042508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.042508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.042508 (E_RNA) where: Base-Base interactions energy: -16.713 where: short stacking energy: -16.713 Base-Backbone interact. energy: -0.034 local terms energy: -24.295827 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -2.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -58.868454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.868454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.868454 (E_RNA) where: Base-Base interactions energy: -23.913 where: short stacking energy: -22.155 Base-Backbone interact. energy: -0.134 local terms energy: -34.821597 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -6.187 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: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -54.305646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.305646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.305646 (E_RNA) where: Base-Base interactions energy: -19.660 where: short stacking energy: -19.660 Base-Backbone interact. energy: -0.078 local terms energy: -34.567725 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.621 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: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -52.081272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.081272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.081272 (E_RNA) where: Base-Base interactions energy: -18.514 where: short stacking energy: -18.514 Base-Backbone interact. energy: 0.515 local terms energy: -34.082918 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -58.651712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.651712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.651712 (E_RNA) where: Base-Base interactions energy: -28.084 where: short stacking energy: -28.084 Base-Backbone interact. energy: -0.000 local terms energy: -30.567702 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -3.618 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: 5, replica: 4 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -56.193025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.193025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.193025 (E_RNA) where: Base-Base interactions energy: -22.353 where: short stacking energy: -21.816 Base-Backbone interact. energy: -0.065 local terms energy: -33.774799 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -6.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -50.364569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.364569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.364569 (E_RNA) where: Base-Base interactions energy: -21.611 where: short stacking energy: -20.336 Base-Backbone interact. energy: -0.051 local terms energy: -28.702751 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.964 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -4.810 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: 163 Temperature: 1.200000 Total energy: -47.232186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.232186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.232186 (E_RNA) where: Base-Base interactions energy: -18.135 where: short stacking energy: -18.135 Base-Backbone interact. energy: -0.004 local terms energy: -29.093267 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -3.966 flat angles P-C4'-P energy: -3.474 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: 8, replica: 9 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -43.904351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.904351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.904351 (E_RNA) where: Base-Base interactions energy: -12.450 where: short stacking energy: -12.450 Base-Backbone interact. energy: -0.122 local terms energy: -31.331738 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -47.591764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.591764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.591764 (E_RNA) where: Base-Base interactions energy: -18.560 where: short stacking energy: -17.872 Base-Backbone interact. energy: -0.367 local terms energy: -28.665262 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -5.834 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -6.562 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: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -42.085241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.085241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.085241 (E_RNA) where: Base-Base interactions energy: -18.392 where: short stacking energy: -11.457 Base-Backbone interact. energy: 0.037 local terms energy: -23.730096 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -2.212 tors. eta vs tors. theta energy: -1.956 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: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -70.424718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.424718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.424718 (E_RNA) where: Base-Base interactions energy: -32.177 where: short stacking energy: -32.177 Base-Backbone interact. energy: -0.000 local terms energy: -38.247526 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.842 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -8.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -60.425132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.425132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.425132 (E_RNA) where: Base-Base interactions energy: -26.747 where: short stacking energy: -26.747 Base-Backbone interact. energy: -0.000 local terms energy: -33.677885 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.206 flat angles P-C4'-P energy: -5.153 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: 2 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -56.978327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.978327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.978327 (E_RNA) where: Base-Base interactions energy: -25.052 where: short stacking energy: -25.052 Base-Backbone interact. energy: -0.085 local terms energy: -31.841544 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -6.648 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: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -57.039917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.039917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.039917 (E_RNA) where: Base-Base interactions energy: -26.330 where: short stacking energy: -22.288 Base-Backbone interact. energy: -0.000 local terms energy: -30.709819 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -8.382 flat angles P-C4'-P energy: -3.746 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: 5, replica: 5 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -55.911213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.911213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.911213 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -21.567 Base-Backbone interact. energy: -0.000 local terms energy: -34.344409 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -7.839 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -49.468296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.468296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.468296 (E_RNA) where: Base-Base interactions energy: -19.853 where: short stacking energy: -17.970 Base-Backbone interact. energy: -0.074 local terms energy: -29.540937 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -6.022 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: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -47.964300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.964300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.964300 (E_RNA) where: Base-Base interactions energy: -21.703 where: short stacking energy: -16.145 Base-Backbone interact. energy: -0.191 local terms energy: -26.070355 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.902 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -1.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -58.349876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.349876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.349876 (E_RNA) where: Base-Base interactions energy: -27.170 where: short stacking energy: -27.170 Base-Backbone interact. energy: -0.000 local terms energy: -31.180053 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -3.924 tors. eta vs tors. theta energy: -8.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -45.144196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.144196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.144196 (E_RNA) where: Base-Base interactions energy: -12.511 where: short stacking energy: -12.511 Base-Backbone interact. energy: -0.015 local terms energy: -32.618401 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -2.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -42.794502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.794502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.794502 (E_RNA) where: Base-Base interactions energy: -17.985 where: short stacking energy: -4.667 Base-Backbone interact. energy: -0.039 local terms energy: -24.770716 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: 3.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -73.513477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.513477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.513477 (E_RNA) where: Base-Base interactions energy: -34.629 where: short stacking energy: -33.353 Base-Backbone interact. energy: -0.001 local terms energy: -38.884281 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.471 flat angles P-C4'-P energy: -5.599 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -69.243549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.243549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.243549 (E_RNA) where: Base-Base interactions energy: -31.541 where: short stacking energy: -31.541 Base-Backbone interact. energy: -0.000 local terms energy: -37.702877 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -6.475 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -59.834381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.834381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.834381 (E_RNA) where: Base-Base interactions energy: -26.167 where: short stacking energy: -26.167 Base-Backbone interact. energy: -0.000 local terms energy: -33.667249 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -5.476 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: 4, replica: 5 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -58.080395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.080395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.080395 (E_RNA) where: Base-Base interactions energy: -22.115 where: short stacking energy: -22.115 Base-Backbone interact. energy: -0.000 local terms energy: -35.965242 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.713 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: 5, replica: 6 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -60.985669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.985669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.985669 (E_RNA) where: Base-Base interactions energy: -25.279 where: short stacking energy: -25.279 Base-Backbone interact. energy: -0.000 local terms energy: -35.706766 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -5.582 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: 6, replica: 9 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -54.145986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.145986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.145986 (E_RNA) where: Base-Base interactions energy: -24.184 where: short stacking energy: -24.184 Base-Backbone interact. energy: 0.993 local terms energy: -30.954998 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -5.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -45.629853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.629853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.629853 (E_RNA) where: Base-Base interactions energy: -19.702 where: short stacking energy: -19.702 Base-Backbone interact. energy: -0.006 local terms energy: -25.921131 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: 0.145 tors. eta vs tors. theta energy: -2.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -47.829646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.829646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.829646 (E_RNA) where: Base-Base interactions energy: -16.250 where: short stacking energy: -16.250 Base-Backbone interact. energy: -0.035 local terms energy: -31.545222 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -5.270 flat angles P-C4'-P energy: -4.077 tors. eta vs tors. theta energy: -6.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -45.386800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.386800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.386800 (E_RNA) where: Base-Base interactions energy: -18.489 where: short stacking energy: -13.829 Base-Backbone interact. energy: -0.000 local terms energy: -26.897746 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -2.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -40.346486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.346486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.346486 (E_RNA) where: Base-Base interactions energy: -10.585 where: short stacking energy: -10.585 Base-Backbone interact. energy: -0.148 local terms energy: -29.614207 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: 0.433 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: 2 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -75.215785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.215785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.215785 (E_RNA) where: Base-Base interactions energy: -40.394 where: short stacking energy: -28.233 Base-Backbone interact. energy: -0.056 local terms energy: -34.765244 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -4.607 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: 2, replica: 10 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -54.943948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.943948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.943948 (E_RNA) where: Base-Base interactions energy: -26.073 where: short stacking energy: -17.847 Base-Backbone interact. energy: -0.624 local terms energy: -28.247366 where: bonds (distance) C4'-P energy: -6.097 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -1.977 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: 5 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -55.020305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.020305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.020305 (E_RNA) where: Base-Base interactions energy: -24.225 where: short stacking energy: -16.858 Base-Backbone interact. energy: -0.055 local terms energy: -30.740188 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.706 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -2.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -57.068102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.068102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.068102 (E_RNA) where: Base-Base interactions energy: -25.632 where: short stacking energy: -25.632 Base-Backbone interact. energy: -0.000 local terms energy: -31.435496 where: bonds (distance) C4'-P energy: -1.737 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -7.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -52.243635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.243635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.243635 (E_RNA) where: Base-Base interactions energy: -22.576 where: short stacking energy: -22.673 Base-Backbone interact. energy: -0.010 local terms energy: -29.657556 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.071 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -4.658 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: 166 Temperature: 1.150000 Total energy: -52.147555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.147555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.147555 (E_RNA) where: Base-Base interactions energy: -20.965 where: short stacking energy: -20.965 Base-Backbone interact. energy: -0.002 local terms energy: -31.180564 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -3.050 tors. eta vs tors. theta energy: -4.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -52.329949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.329949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.329949 (E_RNA) where: Base-Base interactions energy: -21.800 where: short stacking energy: -21.800 Base-Backbone interact. energy: -0.013 local terms energy: -30.516804 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -7.317 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.245 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: 8, replica: 4 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -42.439151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.439151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.439151 (E_RNA) where: Base-Base interactions energy: -16.189 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.044 local terms energy: -26.205721 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -0.867 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -49.389146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.389146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.389146 (E_RNA) where: Base-Base interactions energy: -19.422 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.036 local terms energy: -29.930790 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -6.802 tors. eta vs tors. theta energy: -5.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -44.445410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.445410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.445410 (E_RNA) where: Base-Base interactions energy: -17.032 where: short stacking energy: -14.151 Base-Backbone interact. energy: -0.106 local terms energy: -27.307699 where: bonds (distance) C4'-P energy: -4.093 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -7.150 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: 1, replica: 2 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -78.927490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.927490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.927490 (E_RNA) where: Base-Base interactions energy: -46.521 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.214 local terms energy: -32.192477 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.969 flat angles P-C4'-P energy: -3.974 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: 2, replica: 10 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -64.958664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.958664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.958664 (E_RNA) where: Base-Base interactions energy: -27.898 where: short stacking energy: -27.898 Base-Backbone interact. energy: -0.000 local terms energy: -37.060932 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -7.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -59.033327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.033327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.033327 (E_RNA) where: Base-Base interactions energy: -24.479 where: short stacking energy: -24.479 Base-Backbone interact. energy: -0.000 local terms energy: -34.553590 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.815 flat angles C4'-P-C4' energy: -4.458 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -8.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -59.764378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.764378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.764378 (E_RNA) where: Base-Base interactions energy: -29.498 where: short stacking energy: -27.800 Base-Backbone interact. energy: -0.005 local terms energy: -30.261964 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -2.815 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: 5, replica: 1 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -57.263203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.263203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.263203 (E_RNA) where: Base-Base interactions energy: -19.678 where: short stacking energy: -19.678 Base-Backbone interact. energy: -0.003 local terms energy: -37.581673 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -7.297 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: 6, replica: 7 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -50.138649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.138649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.138649 (E_RNA) where: Base-Base interactions energy: -20.349 where: short stacking energy: -20.349 Base-Backbone interact. energy: -0.039 local terms energy: -29.751495 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -2.996 tors. eta vs tors. theta energy: -3.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -51.817638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.817638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.817638 (E_RNA) where: Base-Base interactions energy: -17.323 where: short stacking energy: -16.492 Base-Backbone interact. energy: -0.550 local terms energy: -33.945161 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -5.087 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -49.809766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.809766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.809766 (E_RNA) where: Base-Base interactions energy: -18.584 where: short stacking energy: -18.584 Base-Backbone interact. energy: -0.003 local terms energy: -31.222376 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.161 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -41.813820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.813820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.813820 (E_RNA) where: Base-Base interactions energy: -18.514 where: short stacking energy: -18.514 Base-Backbone interact. energy: -0.006 local terms energy: -23.293523 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -1.932 flat angles P-C4'-P energy: -5.056 tors. eta vs tors. theta energy: -1.908 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: 10, replica: 8 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -41.545186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.545186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.545186 (E_RNA) where: Base-Base interactions energy: -21.270 where: short stacking energy: -21.270 Base-Backbone interact. energy: -0.000 local terms energy: -20.275203 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -3.840 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -0.103 tors. eta vs tors. theta energy: -3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -58.706337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.706337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.706337 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -19.958 Base-Backbone interact. energy: -0.021 local terms energy: -29.566284 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -3.644 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: 2, replica: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -68.497825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.497825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.497825 (E_RNA) where: Base-Base interactions energy: -41.687 where: short stacking energy: -11.977 Base-Backbone interact. energy: -0.119 local terms energy: -26.691993 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.327 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: 1.008 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: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -58.880408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.880408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.880408 (E_RNA) where: Base-Base interactions energy: -24.523 where: short stacking energy: -24.523 Base-Backbone interact. energy: -0.001 local terms energy: -34.356409 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.820 flat angles P-C4'-P energy: -6.147 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: 4, replica: 5 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -62.023481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.023481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.023481 (E_RNA) where: Base-Base interactions energy: -31.958 where: short stacking energy: -25.126 Base-Backbone interact. energy: -0.080 local terms energy: -29.985194 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -56.843723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.843723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.843723 (E_RNA) where: Base-Base interactions energy: -26.345 where: short stacking energy: -22.387 Base-Backbone interact. energy: -0.192 local terms energy: -30.306795 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.441 flat angles P-C4'-P energy: -6.164 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -51.041532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.041532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.041532 (E_RNA) where: Base-Base interactions energy: -19.778 where: short stacking energy: -15.640 Base-Backbone interact. energy: -0.002 local terms energy: -31.261494 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -5.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -48.813355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.813355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.813355 (E_RNA) where: Base-Base interactions energy: -18.018 where: short stacking energy: -18.018 Base-Backbone interact. energy: -0.000 local terms energy: -30.795300 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -4.128 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: 8, replica: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -42.992921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.992921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.992921 (E_RNA) where: Base-Base interactions energy: -14.816 where: short stacking energy: -14.816 Base-Backbone interact. energy: -0.005 local terms energy: -28.171586 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -5.492 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: 9, replica: 8 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -48.937440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.937440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.937440 (E_RNA) where: Base-Base interactions energy: -22.390 where: short stacking energy: -21.111 Base-Backbone interact. energy: -0.072 local terms energy: -26.475236 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -38.298342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.298342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.298342 (E_RNA) where: Base-Base interactions energy: -14.383 where: short stacking energy: -7.931 Base-Backbone interact. energy: -0.062 local terms energy: -23.853935 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.776 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: 1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -55.360152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.360152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.360152 (E_RNA) where: Base-Base interactions energy: -24.282 where: short stacking energy: -24.282 Base-Backbone interact. energy: -0.033 local terms energy: -31.046054 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -7.494 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -3.894 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: 2, replica: 6 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -59.867477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.867477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.867477 (E_RNA) where: Base-Base interactions energy: -25.965 where: short stacking energy: -25.965 Base-Backbone interact. energy: 0.135 local terms energy: -34.037975 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.185 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -8.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -70.458427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.458427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.458427 (E_RNA) where: Base-Base interactions energy: -37.589 where: short stacking energy: -24.019 Base-Backbone interact. energy: -0.030 local terms energy: -32.839782 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.781 tors. eta vs tors. theta energy: -5.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -55.420879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.420879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.420879 (E_RNA) where: Base-Base interactions energy: -23.934 where: short stacking energy: -23.934 Base-Backbone interact. energy: -0.064 local terms energy: -31.422515 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -4.980 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -5.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -59.195483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.195483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.195483 (E_RNA) where: Base-Base interactions energy: -27.081 where: short stacking energy: -27.081 Base-Backbone interact. energy: -0.000 local terms energy: -32.113985 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -3.331 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: 6, replica: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -55.434611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.434611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.434611 (E_RNA) where: Base-Base interactions energy: -23.290 where: short stacking energy: -12.382 Base-Backbone interact. energy: -1.166 local terms energy: -30.978933 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -0.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -49.710274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.710274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.710274 (E_RNA) where: Base-Base interactions energy: -18.248 where: short stacking energy: -18.248 Base-Backbone interact. energy: -0.008 local terms energy: -31.453851 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -2.964 tors. eta vs tors. theta energy: -3.940 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: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -50.053852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.053852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.053852 (E_RNA) where: Base-Base interactions energy: -18.308 where: short stacking energy: -18.308 Base-Backbone interact. energy: -0.302 local terms energy: -31.443871 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -6.553 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: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -46.810746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.810746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.810746 (E_RNA) where: Base-Base interactions energy: -22.918 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.002 local terms energy: -23.890953 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -4.237 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -3.307 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -42.170729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.170729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.170729 (E_RNA) where: Base-Base interactions energy: -18.593 where: short stacking energy: -18.593 Base-Backbone interact. energy: -0.006 local terms energy: -23.572338 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -3.386 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -3.871 tors. eta vs tors. theta energy: -1.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -70.203045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.203045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.203045 (E_RNA) where: Base-Base interactions energy: -31.743 where: short stacking energy: -31.743 Base-Backbone interact. energy: -0.000 local terms energy: -38.460086 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -9.864 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: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -57.887608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.887608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.887608 (E_RNA) where: Base-Base interactions energy: -28.391 where: short stacking energy: -28.391 Base-Backbone interact. energy: -0.000 local terms energy: -29.496636 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -2.914 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: 5 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -65.326094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.326094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.326094 (E_RNA) where: Base-Base interactions energy: -31.522 where: short stacking energy: -23.810 Base-Backbone interact. energy: -1.511 local terms energy: -32.292934 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -58.688519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.688519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.688519 (E_RNA) where: Base-Base interactions energy: -31.116 where: short stacking energy: -21.264 Base-Backbone interact. energy: -0.035 local terms energy: -27.537627 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -0.610 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: 5, replica: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -56.914374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.914374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.914374 (E_RNA) where: Base-Base interactions energy: -23.778 where: short stacking energy: -23.778 Base-Backbone interact. energy: -0.016 local terms energy: -33.120650 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -8.735 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -5.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -57.220475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.220475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.220475 (E_RNA) where: Base-Base interactions energy: -22.238 where: short stacking energy: -15.481 Base-Backbone interact. energy: -0.711 local terms energy: -34.271577 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -3.839 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: 8 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -57.445649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.445649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.445649 (E_RNA) where: Base-Base interactions energy: -24.283 where: short stacking energy: -23.036 Base-Backbone interact. energy: -0.001 local terms energy: -33.162631 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -3.671 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: 8, replica: 1 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -44.038913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.038913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.038913 (E_RNA) where: Base-Base interactions energy: -19.476 where: short stacking energy: -19.476 Base-Backbone interact. energy: -0.115 local terms energy: -24.448016 where: bonds (distance) C4'-P energy: -4.716 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -3.149 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: 4 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -42.970865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.970865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.970865 (E_RNA) where: Base-Base interactions energy: -12.886 where: short stacking energy: -12.886 Base-Backbone interact. energy: -0.000 local terms energy: -30.084609 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -38.759184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.759184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.759184 (E_RNA) where: Base-Base interactions energy: -13.620 where: short stacking energy: -10.760 Base-Backbone interact. energy: -0.081 local terms energy: -25.058042 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -5.675 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -0.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -56.635594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.635594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.635594 (E_RNA) where: Base-Base interactions energy: -25.322 where: short stacking energy: -17.015 Base-Backbone interact. energy: 0.939 local terms energy: -32.252162 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.343 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -65.912515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.912515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.912515 (E_RNA) where: Base-Base interactions energy: -30.860 where: short stacking energy: -22.915 Base-Backbone interact. energy: -0.001 local terms energy: -35.051748 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -4.186 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: 10 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -54.043865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.043865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.043865 (E_RNA) where: Base-Base interactions energy: -21.974 where: short stacking energy: -21.974 Base-Backbone interact. energy: -0.000 local terms energy: -32.069088 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.133 flat angles P-C4'-P energy: -3.205 tors. eta vs tors. theta energy: -6.362 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: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -53.841896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.841896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.841896 (E_RNA) where: Base-Base interactions energy: -25.396 where: short stacking energy: -25.396 Base-Backbone interact. energy: 1.495 local terms energy: -29.940969 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.200 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.283 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -45.679410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.679410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.679410 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -15.723 Base-Backbone interact. energy: -0.042 local terms energy: -29.914554 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -5.735 tors. eta vs tors. theta energy: -1.996 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: 7 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -52.249818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.249818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.249818 (E_RNA) where: Base-Base interactions energy: -21.061 where: short stacking energy: -15.726 Base-Backbone interact. energy: -0.009 local terms energy: -31.179327 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -3.738 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: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -50.370921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.370921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.370921 (E_RNA) where: Base-Base interactions energy: -18.904 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.847 local terms energy: -30.619306 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -0.596 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -48.333895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.333895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.333895 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -15.568 Base-Backbone interact. energy: -0.010 local terms energy: -27.863674 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -5.180 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -39.709737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.709737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.709737 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -9.879 Base-Backbone interact. energy: 0.577 local terms energy: -27.451474 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -1.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -47.846977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.846977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.846977 (E_RNA) where: Base-Base interactions energy: -23.863 where: short stacking energy: -18.563 Base-Backbone interact. energy: -0.020 local terms energy: -23.964004 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -2.703 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -75.505786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.505786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.505786 (E_RNA) where: Base-Base interactions energy: -33.098 where: short stacking energy: -33.098 Base-Backbone interact. energy: -0.000 local terms energy: -42.407888 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -10.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -62.960157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.960157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.960157 (E_RNA) where: Base-Base interactions energy: -29.530 where: short stacking energy: -26.498 Base-Backbone interact. energy: -0.001 local terms energy: -33.428863 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -5.580 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: 172 Temperature: 1.000000 Total energy: -52.130479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.130479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.130479 (E_RNA) where: Base-Base interactions energy: -19.204 where: short stacking energy: -19.204 Base-Backbone interact. energy: -0.101 local terms energy: -32.825706 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -4.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -55.244560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.244560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.244560 (E_RNA) where: Base-Base interactions energy: -22.002 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.058 local terms energy: -33.184733 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.816 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -5.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -52.989518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.989518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.989518 (E_RNA) where: Base-Base interactions energy: -23.341 where: short stacking energy: -23.341 Base-Backbone interact. energy: -0.000 local terms energy: -29.648016 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -52.370750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.370750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.370750 (E_RNA) where: Base-Base interactions energy: -21.657 where: short stacking energy: -20.885 Base-Backbone interact. energy: -0.002 local terms energy: -30.711698 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -3.373 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -60.373085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.373085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.373085 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -23.073 Base-Backbone interact. energy: -0.014 local terms energy: -37.286772 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -9.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -40.808816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.808816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.808816 (E_RNA) where: Base-Base interactions energy: -12.457 where: short stacking energy: -12.012 Base-Backbone interact. energy: -0.288 local terms energy: -28.063569 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -2.645 tors. eta vs tors. theta energy: -2.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -42.878094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.878094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.878094 (E_RNA) where: Base-Base interactions energy: -16.045 where: short stacking energy: -16.045 Base-Backbone interact. energy: -0.044 local terms energy: -26.789300 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.811 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -3.240 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: 10, replica: 1 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -40.243285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.243285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.243285 (E_RNA) where: Base-Base interactions energy: -9.924 where: short stacking energy: -9.924 Base-Backbone interact. energy: -0.035 local terms energy: -30.284310 where: bonds (distance) C4'-P energy: -6.375 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -6.012 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -71.422387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.422387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.422387 (E_RNA) where: Base-Base interactions energy: -30.965 where: short stacking energy: -30.965 Base-Backbone interact. energy: -0.000 local terms energy: -40.456859 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -9.843 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: 2, replica: 3 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -66.148890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.148890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.148890 (E_RNA) where: Base-Base interactions energy: -29.763 where: short stacking energy: -29.763 Base-Backbone interact. energy: -0.012 local terms energy: -36.373544 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -9.874 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: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -55.658851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.658851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.658851 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.034 local terms energy: -32.520880 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -4.426 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: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -46.351915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351915 (E_RNA) where: Base-Base interactions energy: -17.175 where: short stacking energy: -17.175 Base-Backbone interact. energy: -0.006 local terms energy: -29.170274 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -5.723 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: 5, replica: 10 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -66.489584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.489584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.489584 (E_RNA) where: Base-Base interactions energy: -37.642 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.431 local terms energy: -28.416727 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -3.295 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -50.824908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.824908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.824908 (E_RNA) where: Base-Base interactions energy: -18.774 where: short stacking energy: -18.774 Base-Backbone interact. energy: -0.000 local terms energy: -32.050638 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -3.765 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: 7, replica: 4 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -57.683488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.683488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.683488 (E_RNA) where: Base-Base interactions energy: -25.166 where: short stacking energy: -19.057 Base-Backbone interact. energy: -0.000 local terms energy: -32.516855 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.321 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -42.767411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.767411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.767411 (E_RNA) where: Base-Base interactions energy: -14.413 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.100 local terms energy: -28.255011 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.336 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -43.109333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.109333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.109333 (E_RNA) where: Base-Base interactions energy: -16.000 where: short stacking energy: -16.000 Base-Backbone interact. energy: -0.001 local terms energy: -27.108898 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -43.255447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.255447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.255447 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -14.465 Base-Backbone interact. energy: -0.054 local terms energy: -28.737123 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -2.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -68.622252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.622252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.622252 (E_RNA) where: Base-Base interactions energy: -31.498 where: short stacking energy: -31.498 Base-Backbone interact. energy: -0.000 local terms energy: -37.123891 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.039 flat angles P-C4'-P energy: -4.420 tors. eta vs tors. theta energy: -9.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -70.336913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.336913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.336913 (E_RNA) where: Base-Base interactions energy: -26.934 where: short stacking energy: -26.934 Base-Backbone interact. energy: -0.000 local terms energy: -43.402593 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -10.272 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: 7 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -59.991478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.991478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.991478 (E_RNA) where: Base-Base interactions energy: -26.536 where: short stacking energy: -26.536 Base-Backbone interact. energy: -0.000 local terms energy: -33.455874 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -2.348 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: 4, replica: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -52.709669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.709669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.709669 (E_RNA) where: Base-Base interactions energy: -19.569 where: short stacking energy: -19.569 Base-Backbone interact. energy: -0.000 local terms energy: -33.140253 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -4.859 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: 5, replica: 2 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -57.768619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.768619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.768619 (E_RNA) where: Base-Base interactions energy: -24.806 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.001 local terms energy: -32.961530 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -5.567 flat angles P-C4'-P energy: -4.757 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -53.215574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.215574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.215574 (E_RNA) where: Base-Base interactions energy: -19.624 where: short stacking energy: -19.624 Base-Backbone interact. energy: -0.000 local terms energy: -33.591456 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -3.524 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: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -55.856893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.856893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.856893 (E_RNA) where: Base-Base interactions energy: -31.415 where: short stacking energy: -21.855 Base-Backbone interact. energy: 1.990 local terms energy: -26.432302 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -44.178187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.178187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.178187 (E_RNA) where: Base-Base interactions energy: -13.587 where: short stacking energy: -13.587 Base-Backbone interact. energy: -0.001 local terms energy: -30.591016 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -4.805 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -3.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -45.073337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.073337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.073337 (E_RNA) where: Base-Base interactions energy: -16.545 where: short stacking energy: -15.773 Base-Backbone interact. energy: -0.000 local terms energy: -28.527763 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -4.815 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -3.775 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: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -44.989212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.989212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.989212 (E_RNA) where: Base-Base interactions energy: -14.645 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.002 local terms energy: -30.341658 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.096 flat angles P-C4'-P energy: -3.486 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -63.684851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.684851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.684851 (E_RNA) where: Base-Base interactions energy: -30.712 where: short stacking energy: -30.712 Base-Backbone interact. energy: -0.102 local terms energy: -32.870956 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -6.889 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: 7 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -58.292452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.292452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.292452 (E_RNA) where: Base-Base interactions energy: -23.078 where: short stacking energy: -23.078 Base-Backbone interact. energy: -0.004 local terms energy: -35.210623 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.235 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -5.517 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: 175 Temperature: 1.000000 Total energy: -78.305909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.305909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.305909 (E_RNA) where: Base-Base interactions energy: -45.343 where: short stacking energy: -22.278 Base-Backbone interact. energy: -0.376 local terms energy: -32.587330 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -5.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -56.240005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.240005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.240005 (E_RNA) where: Base-Base interactions energy: -22.106 where: short stacking energy: -22.106 Base-Backbone interact. energy: -0.322 local terms energy: -33.811960 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -3.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -54.618384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.618384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.618384 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -19.603 Base-Backbone interact. energy: -0.015 local terms energy: -30.539076 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -2.781 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -50.943925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.943925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.943925 (E_RNA) where: Base-Base interactions energy: -17.853 where: short stacking energy: -17.853 Base-Backbone interact. energy: -0.004 local terms energy: -33.086891 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -7.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -48.787221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.787221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.787221 (E_RNA) where: Base-Base interactions energy: -17.029 where: short stacking energy: -11.131 Base-Backbone interact. energy: -0.117 local terms energy: -31.641135 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.264 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -0.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -43.138309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.138309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.138309 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -14.066 Base-Backbone interact. energy: -0.006 local terms energy: -28.408110 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: 0.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -47.658845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.658845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.658845 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.729 Base-Backbone interact. energy: -0.000 local terms energy: -29.929331 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -4.251 tors. eta vs tors. theta energy: -4.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -39.683781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.683781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.683781 (E_RNA) where: Base-Base interactions energy: -18.829 where: short stacking energy: -18.829 Base-Backbone interact. energy: 0.477 local terms energy: -21.331237 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -4.079 flat angles P-C4'-P energy: -2.037 tors. eta vs tors. theta energy: -1.792 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: 3 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -65.278552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.278552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.278552 (E_RNA) where: Base-Base interactions energy: -30.187 where: short stacking energy: -30.187 Base-Backbone interact. energy: -0.001 local terms energy: -35.090745 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.196 flat angles P-C4'-P energy: -5.258 tors. eta vs tors. theta energy: -7.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -60.907592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.907592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.907592 (E_RNA) where: Base-Base interactions energy: -25.311 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.004 local terms energy: -35.592065 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -6.289 tors. eta vs tors. theta energy: -7.720 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: 2 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -60.646318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.646318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.646318 (E_RNA) where: Base-Base interactions energy: -34.116 where: short stacking energy: -26.852 Base-Backbone interact. energy: -0.000 local terms energy: -26.530691 where: bonds (distance) C4'-P energy: -2.955 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -8.769 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -65.625629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.625629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.625629 (E_RNA) where: Base-Base interactions energy: -32.154 where: short stacking energy: -26.243 Base-Backbone interact. energy: -0.040 local terms energy: -33.431587 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -7.978 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: 9 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -53.086018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.086018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.086018 (E_RNA) where: Base-Base interactions energy: -19.822 where: short stacking energy: -19.822 Base-Backbone interact. energy: 0.318 local terms energy: -33.582133 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -5.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -49.207766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.207766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.207766 (E_RNA) where: Base-Base interactions energy: -18.982 where: short stacking energy: -18.982 Base-Backbone interact. energy: -0.000 local terms energy: -30.225924 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -3.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -46.744644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.744644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.744644 (E_RNA) where: Base-Base interactions energy: -17.832 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.121 local terms energy: -28.792236 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -0.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -44.241729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.241729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.241729 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: -0.004 local terms energy: -30.804026 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.210 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: 9, replica: 8 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -42.552181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.552181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.552181 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -10.625 Base-Backbone interact. energy: -0.098 local terms energy: -25.767040 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -3.886 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: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -44.610508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.610508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.610508 (E_RNA) where: Base-Base interactions energy: -19.538 where: short stacking energy: -14.914 Base-Backbone interact. energy: -0.002 local terms energy: -25.070372 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.048 flat angles P-C4'-P energy: -2.300 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -68.174780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.174780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.174780 (E_RNA) where: Base-Base interactions energy: -32.270 where: short stacking energy: -32.270 Base-Backbone interact. energy: -0.001 local terms energy: -35.904380 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -5.977 flat angles C4'-P-C4' energy: -9.148 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -8.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -63.716569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.716569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.716569 (E_RNA) where: Base-Base interactions energy: -25.493 where: short stacking energy: -25.493 Base-Backbone interact. energy: 0.027 local terms energy: -38.251047 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.625 flat angles P-C4'-P energy: -4.972 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: 3, replica: 7 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -57.159489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.159489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.159489 (E_RNA) where: Base-Base interactions energy: -23.352 where: short stacking energy: -19.786 Base-Backbone interact. energy: -0.000 local terms energy: -33.807568 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -5.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -62.838125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.838125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.838125 (E_RNA) where: Base-Base interactions energy: -28.713 where: short stacking energy: -28.521 Base-Backbone interact. energy: -0.005 local terms energy: -34.120546 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -7.400 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -6.260 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: 5, replica: 5 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -51.373589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.373589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.373589 (E_RNA) where: Base-Base interactions energy: -19.328 where: short stacking energy: -19.328 Base-Backbone interact. energy: -0.000 local terms energy: -32.045471 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.793 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: 6, replica: 1 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -59.448821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.448821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.448821 (E_RNA) where: Base-Base interactions energy: -33.510 where: short stacking energy: -22.692 Base-Backbone interact. energy: -0.003 local terms energy: -25.935939 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.402 flat angles C4'-P-C4' energy: -2.449 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -6.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -44.473665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.473665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.473665 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.003 local terms energy: -26.878040 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -48.631002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.631002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.631002 (E_RNA) where: Base-Base interactions energy: -19.279 where: short stacking energy: -16.119 Base-Backbone interact. energy: -0.002 local terms energy: -29.350060 where: bonds (distance) C4'-P energy: -5.940 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -4.249 tors. eta vs tors. theta energy: -2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -51.429873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.429873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.429873 (E_RNA) where: Base-Base interactions energy: -32.894 where: short stacking energy: -14.181 Base-Backbone interact. energy: -0.010 local terms energy: -18.525922 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -2.801 flat angles P-C4'-P energy: -2.204 tors. eta vs tors. theta energy: -1.609 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: 177 Temperature: 1.350000 Total energy: -44.208595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.208595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.208595 (E_RNA) where: Base-Base interactions energy: -12.661 where: short stacking energy: -12.661 Base-Backbone interact. energy: -0.010 local terms energy: -31.537229 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -3.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -66.555197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.555197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.555197 (E_RNA) where: Base-Base interactions energy: -34.360 where: short stacking energy: -27.667 Base-Backbone interact. energy: -0.003 local terms energy: -32.192596 where: bonds (distance) C4'-P energy: -5.054 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -5.960 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: 2, replica: 3 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -63.433888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.433888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.433888 (E_RNA) where: Base-Base interactions energy: -28.727 where: short stacking energy: -28.727 Base-Backbone interact. energy: -0.000 local terms energy: -34.706951 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.285 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -8.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -70.255377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.255377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.255377 (E_RNA) where: Base-Base interactions energy: -34.726 where: short stacking energy: -26.907 Base-Backbone interact. energy: -0.888 local terms energy: -34.641179 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -5.837 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: 178 Temperature: 1.050000 Total energy: -52.266617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.266617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.266617 (E_RNA) where: Base-Base interactions energy: -25.011 where: short stacking energy: -25.011 Base-Backbone interact. energy: -0.007 local terms energy: -27.248620 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.425 tors. eta vs tors. theta energy: -3.794 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: 1 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -60.723190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.723190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.723190 (E_RNA) where: Base-Base interactions energy: -28.685 where: short stacking energy: -23.953 Base-Backbone interact. energy: -0.175 local terms energy: -31.863897 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -4.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -44.704254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.704254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.704254 (E_RNA) where: Base-Base interactions energy: -17.286 where: short stacking energy: -17.286 Base-Backbone interact. energy: -0.473 local terms energy: -26.945097 where: bonds (distance) C4'-P energy: -4.558 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -6.114 flat angles P-C4'-P energy: -6.635 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: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -48.283343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.283343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.283343 (E_RNA) where: Base-Base interactions energy: -17.113 where: short stacking energy: -16.769 Base-Backbone interact. energy: -0.000 local terms energy: -31.170274 where: bonds (distance) C4'-P energy: -5.166 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -2.707 tors. eta vs tors. theta energy: -6.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -38.835946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.835946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.835946 (E_RNA) where: Base-Base interactions energy: -7.665 where: short stacking energy: -7.665 Base-Backbone interact. energy: -0.013 local terms energy: -31.157874 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -4.969 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: 9, replica: 4 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -40.840339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.840339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.840339 (E_RNA) where: Base-Base interactions energy: -18.392 where: short stacking energy: -18.392 Base-Backbone interact. energy: -0.005 local terms energy: -22.442892 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -2.490 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -3.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -43.424203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.424203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.424203 (E_RNA) where: Base-Base interactions energy: -13.293 where: short stacking energy: -13.293 Base-Backbone interact. energy: -0.001 local terms energy: -30.129920 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.725 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -2.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -62.725900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.725900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.725900 (E_RNA) where: Base-Base interactions energy: -29.782 where: short stacking energy: -18.295 Base-Backbone interact. energy: -0.217 local terms energy: -32.727338 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -3.151 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: 2, replica: 7 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -62.433872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.433872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.433872 (E_RNA) where: Base-Base interactions energy: -26.991 where: short stacking energy: -26.991 Base-Backbone interact. energy: -0.010 local terms energy: -35.432605 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -4.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -61.145334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.145334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.145334 (E_RNA) where: Base-Base interactions energy: -23.627 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.000 local terms energy: -37.518465 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.344 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -9.055 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: 1 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -47.583893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.583893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.583893 (E_RNA) where: Base-Base interactions energy: -21.755 where: short stacking energy: -7.864 Base-Backbone interact. energy: -0.200 local terms energy: -25.629175 where: bonds (distance) C4'-P energy: -7.708 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: 3.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -48.468052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.468052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.468052 (E_RNA) where: Base-Base interactions energy: -18.853 where: short stacking energy: -18.853 Base-Backbone interact. energy: -0.014 local terms energy: -29.600732 where: bonds (distance) C4'-P energy: -4.773 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -4.218 tors. eta vs tors. theta energy: -3.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -56.973422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.973422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.973422 (E_RNA) where: Base-Base interactions energy: -21.876 where: short stacking energy: -21.714 Base-Backbone interact. energy: -0.000 local terms energy: -35.097404 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -6.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -41.363429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.363429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.363429 (E_RNA) where: Base-Base interactions energy: -16.582 where: short stacking energy: -12.801 Base-Backbone interact. energy: -0.019 local terms energy: -24.761908 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -7.800 tors. eta vs tors. theta energy: 1.655 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: 4 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -48.695638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.695638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.695638 (E_RNA) where: Base-Base interactions energy: -19.465 where: short stacking energy: -19.465 Base-Backbone interact. energy: -0.039 local terms energy: -29.191566 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -2.908 flat angles P-C4'-P energy: -2.987 tors. eta vs tors. theta energy: -8.233 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: 9, replica: 6 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -43.266183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.266183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.266183 (E_RNA) where: Base-Base interactions energy: -19.785 where: short stacking energy: -7.328 Base-Backbone interact. energy: -0.039 local terms energy: -23.442437 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -5.884 tors. eta vs tors. theta energy: 1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -41.334580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.334580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.334580 (E_RNA) where: Base-Base interactions energy: -14.227 where: short stacking energy: -14.227 Base-Backbone interact. energy: -0.109 local terms energy: -26.998254 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -5.633 tors. eta vs tors. theta energy: -0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -72.009436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.009436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.009436 (E_RNA) where: Base-Base interactions energy: -34.119 where: short stacking energy: -33.630 Base-Backbone interact. energy: -0.000 local terms energy: -37.890813 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -9.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -62.151723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.151723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.151723 (E_RNA) where: Base-Base interactions energy: -26.784 where: short stacking energy: -23.039 Base-Backbone interact. energy: -0.000 local terms energy: -35.366971 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.767 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: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -68.278541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.278541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.278541 (E_RNA) where: Base-Base interactions energy: -38.764 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.581 local terms energy: -28.933785 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -56.584383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.584383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.584383 (E_RNA) where: Base-Base interactions energy: -23.822 where: short stacking energy: -23.822 Base-Backbone interact. energy: -0.000 local terms energy: -32.762747 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -3.846 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: 5, replica: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -53.849932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.849932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.849932 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.059 local terms energy: -32.722529 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -4.501 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: 6, replica: 8 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -45.564766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.564766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.564766 (E_RNA) where: Base-Base interactions energy: -16.233 where: short stacking energy: -16.233 Base-Backbone interact. energy: -0.130 local terms energy: -29.201218 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -47.125532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.125532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.125532 (E_RNA) where: Base-Base interactions energy: -23.924 where: short stacking energy: -18.791 Base-Backbone interact. energy: 3.144 local terms energy: -26.345984 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.315 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -2.283 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -43.411043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.411043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.411043 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.007 local terms energy: -27.182440 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -3.580 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -3.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -43.719558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.719558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.719558 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.264 local terms energy: -29.737576 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -0.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -45.872130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.872130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.872130 (E_RNA) where: Base-Base interactions energy: -20.871 where: short stacking energy: -17.372 Base-Backbone interact. energy: 0.214 local terms energy: -25.215554 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -2.958 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -1.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -68.610301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.610301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.610301 (E_RNA) where: Base-Base interactions energy: -30.601 where: short stacking energy: -25.709 Base-Backbone interact. energy: -0.003 local terms energy: -38.005962 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -9.035 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -7.343 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: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -65.743615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.743615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.743615 (E_RNA) where: Base-Base interactions energy: -33.439 where: short stacking energy: -24.339 Base-Backbone interact. energy: 0.136 local terms energy: -32.441023 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -6.747 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: 3, replica: 2 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -57.934920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.934920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.934920 (E_RNA) where: Base-Base interactions energy: -23.084 where: short stacking energy: -23.084 Base-Backbone interact. energy: -0.002 local terms energy: -34.849069 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -4.561 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: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -52.100611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.100611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.100611 (E_RNA) where: Base-Base interactions energy: -18.705 where: short stacking energy: -18.705 Base-Backbone interact. energy: -0.000 local terms energy: -33.395530 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -5.095 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: 3 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -53.657889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.657889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.657889 (E_RNA) where: Base-Base interactions energy: -16.897 where: short stacking energy: -17.697 Base-Backbone interact. energy: -0.082 local terms energy: -36.678894 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -8.922 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -49.892511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.892511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.892511 (E_RNA) where: Base-Base interactions energy: -17.917 where: short stacking energy: -17.917 Base-Backbone interact. energy: -0.040 local terms energy: -31.935268 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -46.184176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.184176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.184176 (E_RNA) where: Base-Base interactions energy: -18.926 where: short stacking energy: -18.926 Base-Backbone interact. energy: -0.002 local terms energy: -27.256127 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -5.576 flat angles C4'-P-C4' energy: -7.066 flat angles P-C4'-P energy: -4.003 tors. eta vs tors. theta energy: -5.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -49.069145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.069145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.069145 (E_RNA) where: Base-Base interactions energy: -18.482 where: short stacking energy: -13.587 Base-Backbone interact. energy: -1.070 local terms energy: -29.516750 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -3.315 tors. eta vs tors. theta energy: -2.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -46.008810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.008810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.008810 (E_RNA) where: Base-Base interactions energy: -23.390 where: short stacking energy: -11.482 Base-Backbone interact. energy: -0.166 local terms energy: -22.453231 where: bonds (distance) C4'-P energy: -2.106 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -4.647 tors. eta vs tors. theta energy: 0.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -43.881777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.881777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.881777 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -14.858 Base-Backbone interact. energy: -0.000 local terms energy: -28.536980 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.777 tors. eta vs tors. theta energy: -3.692 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: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -68.865128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.865128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.865128 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -29.306 Base-Backbone interact. energy: -0.036 local terms energy: -39.523298 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -8.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -61.054032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.054032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.054032 (E_RNA) where: Base-Base interactions energy: -30.381 where: short stacking energy: -22.703 Base-Backbone interact. energy: -0.001 local terms energy: -30.671659 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -53.074741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.074741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.074741 (E_RNA) where: Base-Base interactions energy: -24.823 where: short stacking energy: -24.823 Base-Backbone interact. energy: -0.044 local terms energy: -28.208275 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -3.814 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -4.015 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: 2 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -50.346615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.346615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.346615 (E_RNA) where: Base-Base interactions energy: -17.923 where: short stacking energy: -16.820 Base-Backbone interact. energy: -0.001 local terms energy: -32.423042 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.789 flat angles P-C4'-P energy: -6.079 tors. eta vs tors. theta energy: -3.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -63.961397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.961397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.961397 (E_RNA) where: Base-Base interactions energy: -27.072 where: short stacking energy: -27.072 Base-Backbone interact. energy: -0.000 local terms energy: -36.889493 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -6.907 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: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -50.829908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.829908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.829908 (E_RNA) where: Base-Base interactions energy: -20.982 where: short stacking energy: -20.982 Base-Backbone interact. energy: -0.115 local terms energy: -29.732542 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.682 flat angles P-C4'-P energy: -4.672 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: 7, replica: 10 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -56.716731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.716731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.716731 (E_RNA) where: Base-Base interactions energy: -25.437 where: short stacking energy: -26.437 Base-Backbone interact. energy: -0.004 local terms energy: -31.275601 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -3.594 tors. eta vs tors. theta energy: -4.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -45.749454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.749454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.749454 (E_RNA) where: Base-Base interactions energy: -15.809 where: short stacking energy: -15.300 Base-Backbone interact. energy: -0.883 local terms energy: -29.058165 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -3.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -39.749863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.749863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.749863 (E_RNA) where: Base-Base interactions energy: -13.163 where: short stacking energy: -13.163 Base-Backbone interact. energy: -0.085 local terms energy: -26.502147 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -5.081 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: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -44.237811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.237811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.237811 (E_RNA) where: Base-Base interactions energy: -13.849 where: short stacking energy: -13.849 Base-Backbone interact. energy: -0.007 local terms energy: -30.382415 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -71.072062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.072062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.072062 (E_RNA) where: Base-Base interactions energy: -31.064 where: short stacking energy: -31.064 Base-Backbone interact. energy: -0.000 local terms energy: -40.008302 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -4.876 tors. eta vs tors. theta energy: -10.839 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: 9 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -58.606402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.606402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.606402 (E_RNA) where: Base-Base interactions energy: -25.417 where: short stacking energy: -24.944 Base-Backbone interact. energy: -0.001 local terms energy: -33.188756 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.573 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -4.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -64.923104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.923104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.923104 (E_RNA) where: Base-Base interactions energy: -31.937 where: short stacking energy: -30.191 Base-Backbone interact. energy: -0.098 local terms energy: -32.887801 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -52.108386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.108386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.108386 (E_RNA) where: Base-Base interactions energy: -21.935 where: short stacking energy: -15.724 Base-Backbone interact. energy: -1.113 local terms energy: -29.059860 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -2.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -48.143963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.143963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.143963 (E_RNA) where: Base-Base interactions energy: -21.784 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.000 local terms energy: -26.359272 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -6.059 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -4.755 tors. eta vs tors. theta energy: -2.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -56.554594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.554594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.554594 (E_RNA) where: Base-Base interactions energy: -25.885 where: short stacking energy: -23.436 Base-Backbone interact. energy: -0.048 local terms energy: -30.622043 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -5.980 flat angles P-C4'-P energy: -4.220 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: 7, replica: 3 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -52.171550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.171550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.171550 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: 0.177 local terms energy: -32.847021 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -45.882488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882488 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -14.290 Base-Backbone interact. energy: -0.009 local terms energy: -27.446640 where: bonds (distance) C4'-P energy: -5.879 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -4.653 tors. eta vs tors. theta energy: -2.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -46.554010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.554010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.554010 (E_RNA) where: Base-Base interactions energy: -19.695 where: short stacking energy: -19.499 Base-Backbone interact. energy: -0.002 local terms energy: -26.857420 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -1.879 tors. eta vs tors. theta energy: -3.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -42.982533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.982533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.982533 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.012 local terms energy: -26.379745 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -4.205 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: 1, replica: 1 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -73.871899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.871899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.871899 (E_RNA) where: Base-Base interactions energy: -32.943 where: short stacking energy: -32.943 Base-Backbone interact. energy: -0.000 local terms energy: -40.928849 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -9.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -63.546308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.546308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.546308 (E_RNA) where: Base-Base interactions energy: -28.169 where: short stacking energy: -28.169 Base-Backbone interact. energy: -0.001 local terms energy: -35.376535 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -5.804 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: 3, replica: 4 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -60.975544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.975544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.975544 (E_RNA) where: Base-Base interactions energy: -29.618 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.300 local terms energy: -31.057569 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -2.058 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: 184 Temperature: 1.050000 Total energy: -54.500327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.500327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.500327 (E_RNA) where: Base-Base interactions energy: -24.272 where: short stacking energy: -24.272 Base-Backbone interact. energy: -0.033 local terms energy: -30.195065 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -57.917692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.917692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.917692 (E_RNA) where: Base-Base interactions energy: -26.392 where: short stacking energy: -16.044 Base-Backbone interact. energy: 0.065 local terms energy: -31.590003 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -7.176 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: 6, replica: 2 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -48.007510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.007510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.007510 (E_RNA) where: Base-Base interactions energy: -19.666 where: short stacking energy: -7.496 Base-Backbone interact. energy: -0.560 local terms energy: -27.781120 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -5.914 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -48.164898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.164898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.164898 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -15.161 Base-Backbone interact. energy: -0.010 local terms energy: -32.993996 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -4.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -47.026647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.026647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.026647 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -14.589 Base-Backbone interact. energy: -0.384 local terms energy: -32.053925 where: bonds (distance) C4'-P energy: -7.228 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -2.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -44.636497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.636497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.636497 (E_RNA) where: Base-Base interactions energy: -20.454 where: short stacking energy: -15.023 Base-Backbone interact. energy: -0.111 local terms energy: -24.072264 where: bonds (distance) C4'-P energy: -3.237 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -1.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -42.710863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.710863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.710863 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.067 local terms energy: -24.089402 where: bonds (distance) C4'-P energy: -4.720 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -1.679 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: 1 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -75.988387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.988387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.988387 (E_RNA) where: Base-Base interactions energy: -38.566 where: short stacking energy: -25.342 Base-Backbone interact. energy: -0.007 local terms energy: -37.415618 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -4.284 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: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -68.350795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.350795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.350795 (E_RNA) where: Base-Base interactions energy: -35.756 where: short stacking energy: -26.064 Base-Backbone interact. energy: -0.002 local terms energy: -32.592634 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -6.717 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: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -63.191831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.191831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.191831 (E_RNA) where: Base-Base interactions energy: -25.111 where: short stacking energy: -25.111 Base-Backbone interact. energy: -0.000 local terms energy: -38.081094 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -6.412 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: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -58.615141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.615141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.615141 (E_RNA) where: Base-Base interactions energy: -22.361 where: short stacking energy: -22.358 Base-Backbone interact. energy: -0.000 local terms energy: -36.253490 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -7.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -46.885915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.885915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.885915 (E_RNA) where: Base-Base interactions energy: -18.732 where: short stacking energy: -17.627 Base-Backbone interact. energy: -0.128 local terms energy: -28.025145 where: bonds (distance) C4'-P energy: -6.270 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -2.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -44.663568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.663568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.663568 (E_RNA) where: Base-Base interactions energy: -14.194 where: short stacking energy: -14.194 Base-Backbone interact. energy: -0.015 local terms energy: -30.454682 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -8.888 flat angles P-C4'-P energy: -5.531 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: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -48.496764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.496764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.496764 (E_RNA) where: Base-Base interactions energy: -22.174 where: short stacking energy: -13.651 Base-Backbone interact. energy: -0.000 local terms energy: -26.322592 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -6.457 flat angles C4'-P-C4' energy: -8.636 flat angles P-C4'-P energy: -1.647 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -46.535408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.535408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.535408 (E_RNA) where: Base-Base interactions energy: -13.327 where: short stacking energy: -13.327 Base-Backbone interact. energy: -0.000 local terms energy: -33.208107 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -47.470655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.470655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.470655 (E_RNA) where: Base-Base interactions energy: -19.314 where: short stacking energy: -18.101 Base-Backbone interact. energy: 1.134 local terms energy: -29.290794 where: bonds (distance) C4'-P energy: -5.497 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -2.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -45.617477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.617477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.617477 (E_RNA) where: Base-Base interactions energy: -24.883 where: short stacking energy: -17.337 Base-Backbone interact. energy: -0.260 local terms energy: -20.474311 where: bonds (distance) C4'-P energy: -0.654 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.873 flat angles P-C4'-P energy: -4.765 tors. eta vs tors. theta energy: -0.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -73.511636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.511636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.511636 (E_RNA) where: Base-Base interactions energy: -39.012 where: short stacking energy: -26.090 Base-Backbone interact. energy: -0.334 local terms energy: -34.166173 where: bonds (distance) C4'-P energy: -6.972 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -5.827 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: 2, replica: 4 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -77.898687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.898687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.898687 (E_RNA) where: Base-Base interactions energy: -42.256 where: short stacking energy: -25.795 Base-Backbone interact. energy: -0.000 local terms energy: -35.642894 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -9.526 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -4.525 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: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -64.333443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.333443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.333443 (E_RNA) where: Base-Base interactions energy: -29.028 where: short stacking energy: -29.028 Base-Backbone interact. energy: -0.000 local terms energy: -35.305063 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -6.858 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -8.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -66.276101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.276101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.276101 (E_RNA) where: Base-Base interactions energy: -29.943 where: short stacking energy: -29.943 Base-Backbone interact. energy: -0.000 local terms energy: -36.332677 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.839 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -9.273 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: 8 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -55.192098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.192098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.192098 (E_RNA) where: Base-Base interactions energy: -29.898 where: short stacking energy: -16.420 Base-Backbone interact. energy: -0.435 local terms energy: -24.859127 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.169 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -3.085 tors. eta vs tors. theta energy: -2.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -58.689009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.689009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.689009 (E_RNA) where: Base-Base interactions energy: -24.084 where: short stacking energy: -24.784 Base-Backbone interact. energy: -0.033 local terms energy: -34.572028 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.899 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -8.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -49.845181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.845181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.845181 (E_RNA) where: Base-Base interactions energy: -21.396 where: short stacking energy: -17.015 Base-Backbone interact. energy: -0.000 local terms energy: -28.448728 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -4.758 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -4.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -41.578847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.578847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.578847 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -11.319 Base-Backbone interact. energy: -0.041 local terms energy: -28.376335 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: 0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -43.099375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.099375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.099375 (E_RNA) where: Base-Base interactions energy: -15.882 where: short stacking energy: -12.881 Base-Backbone interact. energy: -0.010 local terms energy: -27.207754 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -5.374 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -2.755 tors. eta vs tors. theta energy: -4.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -43.455068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.455068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.455068 (E_RNA) where: Base-Base interactions energy: -17.440 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.014 local terms energy: -26.001475 where: bonds (distance) C4'-P energy: -5.257 bonds (distance) P-C4' energy: -7.010 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.414 tors. eta vs tors. theta energy: -4.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -71.965839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.965839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.965839 (E_RNA) where: Base-Base interactions energy: -36.885 where: short stacking energy: -22.202 Base-Backbone interact. energy: 0.221 local terms energy: -35.301789 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -6.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -73.145778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.145778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.145778 (E_RNA) where: Base-Base interactions energy: -39.861 where: short stacking energy: -29.745 Base-Backbone interact. energy: -0.469 local terms energy: -32.815116 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -3.253 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: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -66.657196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.657196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.657196 (E_RNA) where: Base-Base interactions energy: -30.422 where: short stacking energy: -30.422 Base-Backbone interact. energy: -0.000 local terms energy: -36.235404 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -5.099 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: 4, replica: 8 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -72.971765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.971765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.971765 (E_RNA) where: Base-Base interactions energy: -41.216 where: short stacking energy: -22.520 Base-Backbone interact. energy: -0.026 local terms energy: -31.728988 where: bonds (distance) C4'-P energy: -2.152 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -6.463 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: 5, replica: 10 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -51.412795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.412795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.412795 (E_RNA) where: Base-Base interactions energy: -18.239 where: short stacking energy: -18.239 Base-Backbone interact. energy: -0.050 local terms energy: -33.123800 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -47.189689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.189689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.189689 (E_RNA) where: Base-Base interactions energy: -18.426 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.054 local terms energy: -28.709933 where: bonds (distance) C4'-P energy: -5.608 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -50.016785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.016785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.016785 (E_RNA) where: Base-Base interactions energy: -20.942 where: short stacking energy: -20.942 Base-Backbone interact. energy: -0.017 local terms energy: -29.057169 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.817 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -1.044 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: 8, replica: 6 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -48.580455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.580455 (E_RNA) where: Base-Base interactions energy: -17.741 where: short stacking energy: -17.741 Base-Backbone interact. energy: -0.006 local terms energy: -30.833407 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -6.473 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: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -44.760804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.760804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.760804 (E_RNA) where: Base-Base interactions energy: -20.289 where: short stacking energy: -20.289 Base-Backbone interact. energy: -0.035 local terms energy: -24.436379 where: bonds (distance) C4'-P energy: -4.450 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -3.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -45.564667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.564667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.564667 (E_RNA) where: Base-Base interactions energy: -13.763 where: short stacking energy: -13.231 Base-Backbone interact. energy: -0.111 local terms energy: -31.691069 where: bonds (distance) C4'-P energy: -5.406 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -2.935 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: 1, replica: 1 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -68.917142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.917142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.917142 (E_RNA) where: Base-Base interactions energy: -30.379 where: short stacking energy: -26.115 Base-Backbone interact. energy: -0.632 local terms energy: -37.905982 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.335 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: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -57.248072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.248072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.248072 (E_RNA) where: Base-Base interactions energy: -27.697 where: short stacking energy: -22.074 Base-Backbone interact. energy: -0.120 local terms energy: -29.430458 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -4.286 flat angles P-C4'-P energy: -5.797 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: 3, replica: 8 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -82.418295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.418295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.418295 (E_RNA) where: Base-Base interactions energy: -45.758 where: short stacking energy: -28.728 Base-Backbone interact. energy: -0.006 local terms energy: -36.654069 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.401 flat angles C4'-P-C4' energy: -8.229 flat angles P-C4'-P energy: -5.185 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: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -52.908450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.908450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.908450 (E_RNA) where: Base-Base interactions energy: -20.274 where: short stacking energy: -20.274 Base-Backbone interact. energy: -0.001 local terms energy: -32.633224 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -4.175 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -6.585 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: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -56.348663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.348663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.348663 (E_RNA) where: Base-Base interactions energy: -25.355 where: short stacking energy: -25.355 Base-Backbone interact. energy: -0.007 local terms energy: -30.986167 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.938 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -6.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -56.986970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.986970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.986970 (E_RNA) where: Base-Base interactions energy: -25.750 where: short stacking energy: -23.660 Base-Backbone interact. energy: -0.050 local terms energy: -31.186285 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -2.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -55.341271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.341271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.341271 (E_RNA) where: Base-Base interactions energy: -23.391 where: short stacking energy: -18.324 Base-Backbone interact. energy: -0.622 local terms energy: -31.328015 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -2.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -46.627076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627076 (E_RNA) where: Base-Base interactions energy: -19.552 where: short stacking energy: -19.552 Base-Backbone interact. energy: -0.001 local terms energy: -27.073643 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -4.943 flat angles P-C4'-P energy: -3.911 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: 9, replica: 3 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -39.384541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.384541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.384541 (E_RNA) where: Base-Base interactions energy: -15.711 where: short stacking energy: -15.711 Base-Backbone interact. energy: -0.029 local terms energy: -23.645189 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -1.514 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -39.012700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.012700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.012700 (E_RNA) where: Base-Base interactions energy: -13.733 where: short stacking energy: -11.313 Base-Backbone interact. energy: -0.004 local terms energy: -25.276221 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -5.067 flat angles C4'-P-C4' energy: -2.737 flat angles P-C4'-P energy: -3.416 tors. eta vs tors. theta energy: -6.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -68.170124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.170124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.170124 (E_RNA) where: Base-Base interactions energy: -30.894 where: short stacking energy: -30.717 Base-Backbone interact. energy: -0.004 local terms energy: -37.271869 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.455 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: 2, replica: 8 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -65.164444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.164444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.164444 (E_RNA) where: Base-Base interactions energy: -31.370 where: short stacking energy: -22.937 Base-Backbone interact. energy: -0.013 local terms energy: -33.780983 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -6.760 tors. eta vs tors. theta energy: -4.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -67.235537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.235537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.235537 (E_RNA) where: Base-Base interactions energy: -41.271 where: short stacking energy: -30.499 Base-Backbone interact. energy: -1.891 local terms energy: -24.073930 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -0.057 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -54.438429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.438429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.438429 (E_RNA) where: Base-Base interactions energy: -24.749 where: short stacking energy: -2.597 Base-Backbone interact. energy: -0.323 local terms energy: -29.366026 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -7.213 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -52.147282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.147282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.147282 (E_RNA) where: Base-Base interactions energy: -19.235 where: short stacking energy: -19.235 Base-Backbone interact. energy: -0.059 local terms energy: -32.853517 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -7.396 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -54.868646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.868646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.868646 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -15.946 Base-Backbone interact. energy: -0.034 local terms energy: -30.013596 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.093 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -2.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -51.082851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.082851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.082851 (E_RNA) where: Base-Base interactions energy: -24.975 where: short stacking energy: -24.975 Base-Backbone interact. energy: -0.000 local terms energy: -26.107571 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -1.144 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: 8, replica: 3 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -44.863601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.863601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.863601 (E_RNA) where: Base-Base interactions energy: -17.056 where: short stacking energy: -17.056 Base-Backbone interact. energy: -0.063 local terms energy: -27.744611 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.731 flat angles C4'-P-C4' energy: -5.591 flat angles P-C4'-P energy: -3.614 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: 7 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -44.925078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.925078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.925078 (E_RNA) where: Base-Base interactions energy: -18.562 where: short stacking energy: -16.782 Base-Backbone interact. energy: 0.924 local terms energy: -27.287320 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -6.290 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -3.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -42.176395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.176395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.176395 (E_RNA) where: Base-Base interactions energy: -16.952 where: short stacking energy: -16.952 Base-Backbone interact. energy: -0.139 local terms energy: -25.084820 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -77.148246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.148246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.148246 (E_RNA) where: Base-Base interactions energy: -43.746 where: short stacking energy: -25.259 Base-Backbone interact. energy: -0.273 local terms energy: -33.128828 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.202 flat angles P-C4'-P energy: -4.514 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: 1 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -68.420953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.420953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.420953 (E_RNA) where: Base-Base interactions energy: -37.229 where: short stacking energy: -21.910 Base-Backbone interact. energy: -0.095 local terms energy: -31.096711 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -2.464 tors. eta vs tors. theta energy: -3.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -70.133100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.133100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.133100 (E_RNA) where: Base-Base interactions energy: -31.350 where: short stacking energy: -31.350 Base-Backbone interact. energy: -0.000 local terms energy: -38.783328 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.918 tors. eta vs tors. theta energy: -9.638 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: 4, replica: 4 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -50.807718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.807718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.807718 (E_RNA) where: Base-Base interactions energy: -17.911 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.019 local terms energy: -32.877740 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -3.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -48.659632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.659632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.659632 (E_RNA) where: Base-Base interactions energy: -20.592 where: short stacking energy: -20.592 Base-Backbone interact. energy: -0.116 local terms energy: -27.951539 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -5.687 flat angles C4'-P-C4' energy: -6.135 flat angles P-C4'-P energy: -1.399 tors. eta vs tors. theta energy: -6.017 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: 6, replica: 9 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -46.154972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.154972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.154972 (E_RNA) where: Base-Base interactions energy: -13.854 where: short stacking energy: -9.754 Base-Backbone interact. energy: 0.165 local terms energy: -32.466240 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -4.701 tors. eta vs tors. theta energy: -3.141 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: 3 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -43.447330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.447330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.447330 (E_RNA) where: Base-Base interactions energy: -15.189 where: short stacking energy: -15.189 Base-Backbone interact. energy: -0.001 local terms energy: -28.257079 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -45.201350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.201350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.201350 (E_RNA) where: Base-Base interactions energy: -23.524 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.493 local terms energy: -21.184491 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -2.463 tors. eta vs tors. theta energy: 2.424 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: 190 Temperature: 1.300000 Total energy: -42.650810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.650810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.650810 (E_RNA) where: Base-Base interactions energy: -19.086 where: short stacking energy: -14.807 Base-Backbone interact. energy: -0.010 local terms energy: -23.555077 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -1.482 tors. eta vs tors. theta energy: 2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -38.307543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.307543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.307543 (E_RNA) where: Base-Base interactions energy: -8.231 where: short stacking energy: -8.231 Base-Backbone interact. energy: -1.329 local terms energy: -28.747934 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -5.947 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -67.932590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.932590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.932590 (E_RNA) where: Base-Base interactions energy: -35.490 where: short stacking energy: -21.659 Base-Backbone interact. energy: -0.004 local terms energy: -32.438751 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -3.710 tors. eta vs tors. theta energy: -6.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -58.937191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.937191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.937191 (E_RNA) where: Base-Base interactions energy: -26.531 where: short stacking energy: -26.531 Base-Backbone interact. energy: -0.000 local terms energy: -32.406156 where: bonds (distance) C4'-P energy: -3.349 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -4.871 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: 3, replica: 1 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -63.528511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.528511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.528511 (E_RNA) where: Base-Base interactions energy: -32.787 where: short stacking energy: -15.976 Base-Backbone interact. energy: -0.001 local terms energy: -30.740527 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -2.237 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: 6 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -57.334808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.334808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.334808 (E_RNA) where: Base-Base interactions energy: -25.680 where: short stacking energy: -25.285 Base-Backbone interact. energy: -0.004 local terms energy: -31.650223 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.414 flat angles C4'-P-C4' energy: -8.246 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -9.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -50.222418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.222418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.222418 (E_RNA) where: Base-Base interactions energy: -27.036 where: short stacking energy: -18.992 Base-Backbone interact. energy: -0.152 local terms energy: -23.034299 where: bonds (distance) C4'-P energy: -5.576 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -3.661 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -41.521668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.521668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.521668 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: 0.552 local terms energy: -31.084834 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -4.966 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: 7, replica: 9 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -43.611855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.611855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.611855 (E_RNA) where: Base-Base interactions energy: -14.912 where: short stacking energy: -12.753 Base-Backbone interact. energy: -0.000 local terms energy: -28.699332 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -1.668 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: 8, replica: 5 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -46.825660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.825660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.825660 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.091 local terms energy: -28.657979 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.515 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: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -49.065845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.065845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.065845 (E_RNA) where: Base-Base interactions energy: -28.239 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.001 local terms energy: -20.825767 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -3.167 flat angles P-C4'-P energy: -4.345 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: 10, replica: 7 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -42.410961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.410961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.410961 (E_RNA) where: Base-Base interactions energy: -11.807 where: short stacking energy: -11.807 Base-Backbone interact. energy: -0.018 local terms energy: -30.586153 where: bonds (distance) C4'-P energy: -5.384 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -66.163280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.163280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.163280 (E_RNA) where: Base-Base interactions energy: -28.954 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.000 local terms energy: -37.209639 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.403 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: 8 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -57.772056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.772056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.772056 (E_RNA) where: Base-Base interactions energy: -20.707 where: short stacking energy: -20.707 Base-Backbone interact. energy: -0.000 local terms energy: -37.065022 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -7.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -54.934425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.934425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.934425 (E_RNA) where: Base-Base interactions energy: -23.551 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.111 local terms energy: -31.272687 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -65.562129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.562129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.562129 (E_RNA) where: Base-Base interactions energy: -35.664 where: short stacking energy: -21.735 Base-Backbone interact. energy: -0.001 local terms energy: -29.897213 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -5.214 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -47.065147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.065147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.065147 (E_RNA) where: Base-Base interactions energy: -17.748 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.075 local terms energy: -29.242394 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -4.657 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -2.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -54.193885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.193885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.193885 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -19.368 Base-Backbone interact. energy: -0.002 local terms energy: -32.480756 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.765 flat angles P-C4'-P energy: -6.126 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -48.522158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.522158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.522158 (E_RNA) where: Base-Base interactions energy: -15.005 where: short stacking energy: -15.005 Base-Backbone interact. energy: -0.084 local terms energy: -33.432601 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -6.845 tors. eta vs tors. theta energy: -3.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -41.478829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.478829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.478829 (E_RNA) where: Base-Base interactions energy: -11.732 where: short stacking energy: -8.859 Base-Backbone interact. energy: -0.051 local terms energy: -29.695472 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -5.234 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -39.340970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.340970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.340970 (E_RNA) where: Base-Base interactions energy: -13.462 where: short stacking energy: -11.068 Base-Backbone interact. energy: -0.608 local terms energy: -25.271356 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.457 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -0.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -44.400300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.400300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.400300 (E_RNA) where: Base-Base interactions energy: -16.329 where: short stacking energy: -16.329 Base-Backbone interact. energy: -0.000 local terms energy: -28.071305 where: bonds (distance) C4'-P energy: -3.948 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -3.669 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: 193 Temperature: 0.900000 Total energy: -65.426447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.426447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.426447 (E_RNA) where: Base-Base interactions energy: -33.230 where: short stacking energy: -27.355 Base-Backbone interact. energy: -0.000 local terms energy: -32.196066 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -5.059 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: 2, replica: 8 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -62.145973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.145973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.145973 (E_RNA) where: Base-Base interactions energy: -26.558 where: short stacking energy: -26.558 Base-Backbone interact. energy: -0.002 local terms energy: -35.586088 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.921 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: 1 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -62.375989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.375989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.375989 (E_RNA) where: Base-Base interactions energy: -27.623 where: short stacking energy: -26.616 Base-Backbone interact. energy: -0.000 local terms energy: -34.752733 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -58.066061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.066061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.066061 (E_RNA) where: Base-Base interactions energy: -25.218 where: short stacking energy: -25.218 Base-Backbone interact. energy: -0.016 local terms energy: -32.832589 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.454 flat angles P-C4'-P energy: -5.147 tors. eta vs tors. theta energy: -5.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -48.774875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.774875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.774875 (E_RNA) where: Base-Base interactions energy: -18.718 where: short stacking energy: -18.718 Base-Backbone interact. energy: -0.113 local terms energy: -29.944510 where: bonds (distance) C4'-P energy: -6.105 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -47.937703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.937703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.937703 (E_RNA) where: Base-Base interactions energy: -16.889 where: short stacking energy: -16.889 Base-Backbone interact. energy: 0.297 local terms energy: -31.345857 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -2.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -48.307067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.307067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.307067 (E_RNA) where: Base-Base interactions energy: -17.829 where: short stacking energy: -17.574 Base-Backbone interact. energy: -0.000 local terms energy: -30.478066 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -4.476 tors. eta vs tors. theta energy: -1.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -41.665684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.665684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.665684 (E_RNA) where: Base-Base interactions energy: -15.253 where: short stacking energy: -15.253 Base-Backbone interact. energy: -0.001 local terms energy: -26.412605 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -3.093 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: 9, replica: 9 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -48.223496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.223496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.223496 (E_RNA) where: Base-Base interactions energy: -19.300 where: short stacking energy: -19.300 Base-Backbone interact. energy: -0.000 local terms energy: -28.922617 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.070 flat angles P-C4'-P energy: -2.155 tors. eta vs tors. theta energy: -5.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -43.414528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.414528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.414528 (E_RNA) where: Base-Base interactions energy: -16.907 where: short stacking energy: -12.770 Base-Backbone interact. energy: -0.015 local terms energy: -26.492144 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -1.625 tors. eta vs tors. theta energy: -0.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -68.849049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.849049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.849049 (E_RNA) where: Base-Base interactions energy: -34.136 where: short stacking energy: -23.338 Base-Backbone interact. energy: -0.026 local terms energy: -34.686742 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -4.114 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: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -55.912731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.912731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.912731 (E_RNA) where: Base-Base interactions energy: -25.098 where: short stacking energy: -25.098 Base-Backbone interact. energy: -0.000 local terms energy: -30.814347 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -3.803 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: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -55.360295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.360295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.360295 (E_RNA) where: Base-Base interactions energy: -20.612 where: short stacking energy: -20.612 Base-Backbone interact. energy: -0.068 local terms energy: -34.679860 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.134 flat angles P-C4'-P energy: -7.335 tors. eta vs tors. theta energy: -3.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -55.324294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.324294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.324294 (E_RNA) where: Base-Base interactions energy: -22.437 where: short stacking energy: -22.437 Base-Backbone interact. energy: -0.006 local terms energy: -32.881444 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -4.845 tors. eta vs tors. theta energy: -6.770 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: 5, replica: 5 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -52.189848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.189848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.189848 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -18.375 Base-Backbone interact. energy: 0.171 local terms energy: -25.881011 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -5.551 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -54.588220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.588220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.588220 (E_RNA) where: Base-Base interactions energy: -19.330 where: short stacking energy: -18.243 Base-Backbone interact. energy: -0.114 local terms energy: -35.144976 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -5.082 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: 7, replica: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -50.904601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.904601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.904601 (E_RNA) where: Base-Base interactions energy: -20.011 where: short stacking energy: -18.130 Base-Backbone interact. energy: -0.051 local terms energy: -30.842238 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -2.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -48.257276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.257276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.257276 (E_RNA) where: Base-Base interactions energy: -21.594 where: short stacking energy: -19.419 Base-Backbone interact. energy: -0.000 local terms energy: -26.662745 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.211 flat angles P-C4'-P energy: -2.732 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: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -44.081294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.081294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.081294 (E_RNA) where: Base-Base interactions energy: -16.621 where: short stacking energy: -14.679 Base-Backbone interact. energy: -0.458 local terms energy: -27.002842 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -3.099 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: 10, replica: 9 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -43.807096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.807096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.807096 (E_RNA) where: Base-Base interactions energy: -13.161 where: short stacking energy: -11.437 Base-Backbone interact. energy: -0.078 local terms energy: -30.568687 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.566 flat angles P-C4'-P energy: -4.460 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -77.929564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.929564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.929564 (E_RNA) where: Base-Base interactions energy: -44.682 where: short stacking energy: -26.190 Base-Backbone interact. energy: -0.004 local terms energy: -33.243446 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.518 flat angles P-C4'-P energy: -4.707 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: 2, replica: 3 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -68.268070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.268070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.268070 (E_RNA) where: Base-Base interactions energy: -31.250 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.000 local terms energy: -37.018185 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -8.788 flat angles P-C4'-P energy: -5.084 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: 3, replica: 10 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -70.278925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.278925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.278925 (E_RNA) where: Base-Base interactions energy: -32.754 where: short stacking energy: -32.754 Base-Backbone interact. energy: -0.000 local terms energy: -37.524910 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -7.474 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -11.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -68.224442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.224442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.224442 (E_RNA) where: Base-Base interactions energy: -32.200 where: short stacking energy: -32.200 Base-Backbone interact. energy: -0.000 local terms energy: -36.023968 where: bonds (distance) C4'-P energy: -6.544 bonds (distance) P-C4' energy: -7.311 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -3.720 tors. eta vs tors. theta energy: -10.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -51.981047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.981047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.981047 (E_RNA) where: Base-Base interactions energy: -16.448 where: short stacking energy: -14.850 Base-Backbone interact. energy: -0.001 local terms energy: -35.532618 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -6.902 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: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -50.630524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.630524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.630524 (E_RNA) where: Base-Base interactions energy: -20.488 where: short stacking energy: -20.488 Base-Backbone interact. energy: -0.053 local terms energy: -30.089491 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -2.843 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: 7, replica: 6 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -59.892697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.892697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.892697 (E_RNA) where: Base-Base interactions energy: -27.480 where: short stacking energy: -20.990 Base-Backbone interact. energy: 0.104 local terms energy: -32.517275 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -5.699 flat angles P-C4'-P energy: -5.879 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: 8, replica: 2 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -51.634108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.634108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.634108 (E_RNA) where: Base-Base interactions energy: -19.313 where: short stacking energy: -12.558 Base-Backbone interact. energy: -0.000 local terms energy: -32.320603 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -4.346 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: 9, replica: 4 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -43.978145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.978145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.978145 (E_RNA) where: Base-Base interactions energy: -17.237 where: short stacking energy: -14.281 Base-Backbone interact. energy: 0.415 local terms energy: -27.156314 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -0.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -54.060713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.060713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.060713 (E_RNA) where: Base-Base interactions energy: -24.390 where: short stacking energy: -12.344 Base-Backbone interact. energy: -0.042 local terms energy: -29.628806 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -3.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -78.762950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.762950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.762950 (E_RNA) where: Base-Base interactions energy: -44.508 where: short stacking energy: -24.033 Base-Backbone interact. energy: -0.009 local terms energy: -34.245637 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -5.561 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: 2, replica: 3 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -73.123008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.123008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.123008 (E_RNA) where: Base-Base interactions energy: -36.116 where: short stacking energy: -17.426 Base-Backbone interact. energy: 0.894 local terms energy: -37.901193 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -6.658 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: 3, replica: 5 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -58.820815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.820815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.820815 (E_RNA) where: Base-Base interactions energy: -23.821 where: short stacking energy: -22.265 Base-Backbone interact. energy: -0.001 local terms energy: -34.998771 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.081 tors. eta vs tors. theta energy: -9.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -52.987794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.987794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.987794 (E_RNA) where: Base-Base interactions energy: -25.337 where: short stacking energy: -20.195 Base-Backbone interact. energy: -0.006 local terms energy: -27.644075 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -4.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -50.185093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.185093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.185093 (E_RNA) where: Base-Base interactions energy: -16.407 where: short stacking energy: -16.407 Base-Backbone interact. energy: -0.103 local terms energy: -33.675279 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -6.171 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: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -51.046827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.046827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.046827 (E_RNA) where: Base-Base interactions energy: -26.829 where: short stacking energy: -18.677 Base-Backbone interact. energy: -0.043 local terms energy: -24.174820 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -2.516 flat angles P-C4'-P energy: -6.731 tors. eta vs tors. theta energy: -0.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -52.372455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.372455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.372455 (E_RNA) where: Base-Base interactions energy: -25.925 where: short stacking energy: -10.701 Base-Backbone interact. energy: -0.012 local terms energy: -26.435745 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: 0.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -46.665598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.665598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.665598 (E_RNA) where: Base-Base interactions energy: -15.524 where: short stacking energy: -15.524 Base-Backbone interact. energy: -0.000 local terms energy: -31.141325 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -3.042 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -7.727 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: 9 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -40.000661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.000661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.000661 (E_RNA) where: Base-Base interactions energy: -16.194 where: short stacking energy: -6.176 Base-Backbone interact. energy: -0.016 local terms energy: -23.790603 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -1.772 tors. eta vs tors. theta energy: -1.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -43.964176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.964176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.964176 (E_RNA) where: Base-Base interactions energy: -14.354 where: short stacking energy: -14.354 Base-Backbone interact. energy: -0.026 local terms energy: -29.584034 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -4.590 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -70.719432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.719432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.719432 (E_RNA) where: Base-Base interactions energy: -38.325 where: short stacking energy: -26.467 Base-Backbone interact. energy: -0.406 local terms energy: -31.989191 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -4.954 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: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -64.376493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.376493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.376493 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -25.206 Base-Backbone interact. energy: 0.312 local terms energy: -34.263816 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -66.632485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.632485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.632485 (E_RNA) where: Base-Base interactions energy: -34.286 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.138 local terms energy: -32.208233 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -3.945 tors. eta vs tors. theta energy: -3.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -56.501085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.501085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.501085 (E_RNA) where: Base-Base interactions energy: -24.592 where: short stacking energy: -20.159 Base-Backbone interact. energy: -0.001 local terms energy: -31.908552 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.444 flat angles C4'-P-C4' energy: -6.195 flat angles P-C4'-P energy: -6.806 tors. eta vs tors. theta energy: -2.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -54.318953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.318953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.318953 (E_RNA) where: Base-Base interactions energy: -21.072 where: short stacking energy: -21.072 Base-Backbone interact. energy: -0.066 local terms energy: -33.180523 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.092 flat angles P-C4'-P energy: -6.323 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -57.461236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.461236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.461236 (E_RNA) where: Base-Base interactions energy: -23.234 where: short stacking energy: -23.234 Base-Backbone interact. energy: -0.001 local terms energy: -34.226080 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -8.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -47.118766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.118766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.118766 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.012 local terms energy: -26.663179 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -2.936 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: 197 Temperature: 1.250000 Total energy: -48.521944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.521944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.521944 (E_RNA) where: Base-Base interactions energy: -17.817 where: short stacking energy: -17.817 Base-Backbone interact. energy: -0.000 local terms energy: -30.704645 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -3.834 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: 6 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -46.920446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.920446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.920446 (E_RNA) where: Base-Base interactions energy: -21.577 where: short stacking energy: -21.577 Base-Backbone interact. energy: -1.369 local terms energy: -23.973841 where: bonds (distance) C4'-P energy: -3.038 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -3.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -40.628523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.628523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.628523 (E_RNA) where: Base-Base interactions energy: -10.420 where: short stacking energy: -10.420 Base-Backbone interact. energy: -0.410 local terms energy: -29.799129 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -9.120 flat angles P-C4'-P energy: -4.033 tors. eta vs tors. theta energy: -2.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -61.837696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.837696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.837696 (E_RNA) where: Base-Base interactions energy: -23.799 where: short stacking energy: -23.799 Base-Backbone interact. energy: -0.008 local terms energy: -38.030353 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -5.162 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: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -72.962845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.962845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.962845 (E_RNA) where: Base-Base interactions energy: -33.360 where: short stacking energy: -33.360 Base-Backbone interact. energy: -0.000 local terms energy: -39.603191 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -11.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -65.896614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.896614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.896614 (E_RNA) where: Base-Base interactions energy: -27.876 where: short stacking energy: -27.876 Base-Backbone interact. energy: -0.000 local terms energy: -38.019769 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.808 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -8.115 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: 4, replica: 3 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -54.759329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.759329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.759329 (E_RNA) where: Base-Base interactions energy: -21.237 where: short stacking energy: -21.237 Base-Backbone interact. energy: -0.089 local terms energy: -33.433421 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -3.461 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: 2 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -50.628838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.628838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.628838 (E_RNA) where: Base-Base interactions energy: -20.396 where: short stacking energy: -20.396 Base-Backbone interact. energy: -0.442 local terms energy: -29.790391 where: bonds (distance) C4'-P energy: -3.700 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -5.470 tors. eta vs tors. theta energy: -3.725 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: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -50.938667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.938667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.938667 (E_RNA) where: Base-Base interactions energy: -20.405 where: short stacking energy: -20.405 Base-Backbone interact. energy: 0.052 local terms energy: -30.585634 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -5.288 tors. eta vs tors. theta energy: -4.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -52.455298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.455298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.455298 (E_RNA) where: Base-Base interactions energy: -30.071 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.124 local terms energy: -22.259757 where: bonds (distance) C4'-P energy: -5.352 bonds (distance) P-C4' energy: -5.006 flat angles C4'-P-C4' energy: -5.484 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -47.876417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.876417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.876417 (E_RNA) where: Base-Base interactions energy: -17.751 where: short stacking energy: -17.751 Base-Backbone interact. energy: -0.000 local terms energy: -30.125021 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -4.436 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: 9, replica: 4 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -40.452838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.452838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.452838 (E_RNA) where: Base-Base interactions energy: -15.863 where: short stacking energy: -11.769 Base-Backbone interact. energy: -0.000 local terms energy: -24.589719 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: 0.830 tors. eta vs tors. theta energy: -2.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -37.949345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.949345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.949345 (E_RNA) where: Base-Base interactions energy: -10.339 where: short stacking energy: -10.339 Base-Backbone interact. energy: -0.087 local terms energy: -27.523999 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: 0.698 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: 5 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -63.602373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.602373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.602373 (E_RNA) where: Base-Base interactions energy: -25.820 where: short stacking energy: -25.820 Base-Backbone interact. energy: -0.000 local terms energy: -37.781942 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -8.578 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: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -71.066668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.066668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.066668 (E_RNA) where: Base-Base interactions energy: -31.353 where: short stacking energy: -31.353 Base-Backbone interact. energy: -0.000 local terms energy: -39.713425 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -9.054 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -9.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -56.743673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.743673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.743673 (E_RNA) where: Base-Base interactions energy: -21.088 where: short stacking energy: -21.088 Base-Backbone interact. energy: -0.472 local terms energy: -35.183674 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -6.159 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -64.033761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.033761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.033761 (E_RNA) where: Base-Base interactions energy: -33.288 where: short stacking energy: -18.450 Base-Backbone interact. energy: -0.001 local terms energy: -30.745267 where: bonds (distance) C4'-P energy: -3.871 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -9.296 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -3.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -48.174918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.174918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.174918 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.039 local terms energy: -34.233736 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -4.912 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: 6, replica: 9 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -55.659314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.659314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.659314 (E_RNA) where: Base-Base interactions energy: -24.374 where: short stacking energy: -24.374 Base-Backbone interact. energy: -0.004 local terms energy: -31.281183 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.449 flat angles P-C4'-P energy: -0.708 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: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -57.317916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.317916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.317916 (E_RNA) where: Base-Base interactions energy: -25.048 where: short stacking energy: -25.048 Base-Backbone interact. energy: -0.000 local terms energy: -32.269628 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -5.469 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -5.176 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: 8, replica: 4 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -38.399982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.399982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.399982 (E_RNA) where: Base-Base interactions energy: -13.595 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.000 local terms energy: -24.804273 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -3.487 tors. eta vs tors. theta energy: 1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -45.732767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.732767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.732767 (E_RNA) where: Base-Base interactions energy: -20.582 where: short stacking energy: -17.920 Base-Backbone interact. energy: -0.140 local terms energy: -25.010546 where: bonds (distance) C4'-P energy: -3.493 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -4.268 tors. eta vs tors. theta energy: -3.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -39.123020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.123020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.123020 (E_RNA) where: Base-Base interactions energy: -15.563 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.160 local terms energy: -23.400698 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -65.135641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.135641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.135641 (E_RNA) where: Base-Base interactions energy: -34.244 where: short stacking energy: -26.240 Base-Backbone interact. energy: -0.014 local terms energy: -30.878201 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -6.576 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -67.530686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.530686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.530686 (E_RNA) where: Base-Base interactions energy: -30.893 where: short stacking energy: -25.155 Base-Backbone interact. energy: -0.000 local terms energy: -36.636988 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -7.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -50.698449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.698449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.698449 (E_RNA) where: Base-Base interactions energy: -18.076 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.000 local terms energy: -32.622017 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.234 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -5.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -65.010094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.010094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.010094 (E_RNA) where: Base-Base interactions energy: -26.437 where: short stacking energy: -26.437 Base-Backbone interact. energy: -0.000 local terms energy: -38.572904 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -5.460 tors. eta vs tors. theta energy: -9.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -54.913732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.913732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.913732 (E_RNA) where: Base-Base interactions energy: -23.053 where: short stacking energy: -23.053 Base-Backbone interact. energy: -0.000 local terms energy: -31.860273 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -4.184 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: 6, replica: 9 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -45.856115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.856115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.856115 (E_RNA) where: Base-Base interactions energy: -15.669 where: short stacking energy: -15.669 Base-Backbone interact. energy: -0.096 local terms energy: -30.090579 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -5.777 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: 7, replica: 4 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -52.242809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.242809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.242809 (E_RNA) where: Base-Base interactions energy: -23.765 where: short stacking energy: -23.765 Base-Backbone interact. energy: -0.000 local terms energy: -28.477998 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.600 flat angles P-C4'-P energy: -4.933 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: 8, replica: 1 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -45.464677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.464677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.464677 (E_RNA) where: Base-Base interactions energy: -15.648 where: short stacking energy: -15.648 Base-Backbone interact. energy: -0.007 local terms energy: -29.809501 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -5.601 tors. eta vs tors. theta energy: -1.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -41.744073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.744073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.744073 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: -0.084 local terms energy: -23.168129 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: 2.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -43.475224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.475224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.475224 (E_RNA) where: Base-Base interactions energy: -12.575 where: short stacking energy: -11.165 Base-Backbone interact. energy: -0.020 local terms energy: -30.879667 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -9.153 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: -0.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -65.796451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.796451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.796451 (E_RNA) where: Base-Base interactions energy: -27.171 where: short stacking energy: -26.943 Base-Backbone interact. energy: -0.000 local terms energy: -38.625880 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -5.486 tors. eta vs tors. theta energy: -8.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -64.032421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.032421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.032421 (E_RNA) where: Base-Base interactions energy: -29.062 where: short stacking energy: -25.758 Base-Backbone interact. energy: -0.118 local terms energy: -34.852521 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.947 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: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -66.751560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.751560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.751560 (E_RNA) where: Base-Base interactions energy: -29.678 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.000 local terms energy: -37.073438 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.720 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -9.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -65.082505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.082505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.082505 (E_RNA) where: Base-Base interactions energy: -26.933 where: short stacking energy: -26.933 Base-Backbone interact. energy: -0.000 local terms energy: -38.149055 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -6.927 tors. eta vs tors. theta energy: -9.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -48.947985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.947985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.947985 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.066 local terms energy: -30.643332 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.710 flat angles P-C4'-P energy: -4.430 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: 6, replica: 4 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -66.593550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.593550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.593550 (E_RNA) where: Base-Base interactions energy: -32.815 where: short stacking energy: -32.815 Base-Backbone interact. energy: 0.579 local terms energy: -34.357567 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -5.136 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: 7, replica: 9 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -43.644140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.644140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.644140 (E_RNA) where: Base-Base interactions energy: -17.564 where: short stacking energy: -16.171 Base-Backbone interact. energy: -0.031 local terms energy: -26.049241 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: -2.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -56.335201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.335201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.335201 (E_RNA) where: Base-Base interactions energy: -30.801 where: short stacking energy: -19.102 Base-Backbone interact. energy: -0.018 local terms energy: -25.516304 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -7.501 flat angles P-C4'-P energy: -4.736 tors. eta vs tors. theta energy: -1.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -49.089805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.089805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.089805 (E_RNA) where: Base-Base interactions energy: -18.374 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.100 local terms energy: -30.615413 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -42.907048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.907048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.907048 (E_RNA) where: Base-Base interactions energy: -15.492 where: short stacking energy: -15.492 Base-Backbone interact. energy: -0.086 local terms energy: -27.328596 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -4.429 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -67.540399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.540399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.540399 (E_RNA) where: Base-Base interactions energy: -30.124 where: short stacking energy: -28.824 Base-Backbone interact. energy: -0.000 local terms energy: -37.416227 where: bonds (distance) C4'-P energy: -7.053 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -7.362 tors. eta vs tors. theta energy: -8.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -73.927742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.927742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.927742 (E_RNA) where: Base-Base interactions energy: -39.339 where: short stacking energy: -19.554 Base-Backbone interact. energy: 0.043 local terms energy: -34.631647 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.559 flat angles P-C4'-P energy: -6.686 tors. eta vs tors. theta energy: -5.436 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: 3 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -49.091358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.091358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.091358 (E_RNA) where: Base-Base interactions energy: -14.525 where: short stacking energy: -14.525 Base-Backbone interact. energy: -0.026 local terms energy: -34.540726 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -6.736 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: 4, replica: 5 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -52.819826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.819826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.819826 (E_RNA) where: Base-Base interactions energy: -21.597 where: short stacking energy: -21.597 Base-Backbone interact. energy: -0.000 local terms energy: -31.222194 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.273 flat angles P-C4'-P energy: -4.229 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: 5, replica: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -54.643080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.643080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.643080 (E_RNA) where: Base-Base interactions energy: -21.228 where: short stacking energy: -21.228 Base-Backbone interact. energy: -0.000 local terms energy: -33.414795 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -6.156 tors. eta vs tors. theta energy: -4.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -43.132797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.132797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.132797 (E_RNA) where: Base-Base interactions energy: -18.111 where: short stacking energy: -13.090 Base-Backbone interact. energy: 0.744 local terms energy: -25.766220 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: 1.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -52.391869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.391869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.391869 (E_RNA) where: Base-Base interactions energy: -25.021 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.100 local terms energy: -27.270564 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -3.178 flat angles P-C4'-P energy: -5.028 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: 8, replica: 9 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -48.013366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.013366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.013366 (E_RNA) where: Base-Base interactions energy: -19.946 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.001 local terms energy: -28.066087 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -3.316 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: 9, replica: 7 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -45.285990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.285990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.285990 (E_RNA) where: Base-Base interactions energy: -17.359 where: short stacking energy: -8.850 Base-Backbone interact. energy: -0.043 local terms energy: -27.883296 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -5.161 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: 10, replica: 1 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -44.540562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.540562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.540562 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.033 local terms energy: -26.721312 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -1.906 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: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -61.909395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.909395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.909395 (E_RNA) where: Base-Base interactions energy: -24.638 where: short stacking energy: -24.638 Base-Backbone interact. energy: -0.000 local terms energy: -37.271455 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -9.395 flat angles P-C4'-P energy: -5.612 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: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -62.601875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.601875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.601875 (E_RNA) where: Base-Base interactions energy: -26.598 where: short stacking energy: -26.001 Base-Backbone interact. energy: -0.134 local terms energy: -35.870304 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -5.526 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: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -70.383507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.383507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.383507 (E_RNA) where: Base-Base interactions energy: -45.619 where: short stacking energy: -21.819 Base-Backbone interact. energy: -0.111 local terms energy: -24.653003 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -6.257 flat angles C4'-P-C4' energy: -3.583 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -60.738593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.738593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.738593 (E_RNA) where: Base-Base interactions energy: -25.908 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.066 local terms energy: -34.764314 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -5.442 flat angles C4'-P-C4' energy: -9.438 flat angles P-C4'-P energy: -7.094 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: 5, replica: 4 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -55.043252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.043252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.043252 (E_RNA) where: Base-Base interactions energy: -22.543 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.006 local terms energy: -32.493487 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -5.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -60.284027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.284027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.284027 (E_RNA) where: Base-Base interactions energy: -23.477 where: short stacking energy: -23.477 Base-Backbone interact. energy: -0.001 local terms energy: -36.806822 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -5.376 tors. eta vs tors. theta energy: -7.654 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: 6 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -48.045500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.045500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.045500 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -17.593 Base-Backbone interact. energy: 0.643 local terms energy: -31.095090 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -2.758 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: 7 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -46.667327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.667327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.667327 (E_RNA) where: Base-Base interactions energy: -21.817 where: short stacking energy: -14.809 Base-Backbone interact. energy: -0.001 local terms energy: -24.849589 where: bonds (distance) C4'-P energy: -4.064 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.647 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -0.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -36.485490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.485490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.485490 (E_RNA) where: Base-Base interactions energy: -13.254 where: short stacking energy: -9.987 Base-Backbone interact. energy: -1.319 local terms energy: -21.912214 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: 0.383 flat angles P-C4'-P energy: -5.178 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: 10, replica: 1 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -45.610436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.610436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.610436 (E_RNA) where: Base-Base interactions energy: -17.177 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.000 local terms energy: -28.433699 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -5.121 flat angles C4'-P-C4' energy: -6.988 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -3.753 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: 1, replica: 3 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -61.616694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.616694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.616694 (E_RNA) where: Base-Base interactions energy: -25.459 where: short stacking energy: -25.459 Base-Backbone interact. energy: -0.000 local terms energy: -36.157991 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -6.622 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: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -59.153659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.153659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.153659 (E_RNA) where: Base-Base interactions energy: -22.533 where: short stacking energy: -22.533 Base-Backbone interact. energy: -0.094 local terms energy: -36.526226 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -5.578 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: 5 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -61.031265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.031265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.031265 (E_RNA) where: Base-Base interactions energy: -24.429 where: short stacking energy: -23.682 Base-Backbone interact. energy: -0.001 local terms energy: -36.601030 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -4.140 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: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -50.706971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.706971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.706971 (E_RNA) where: Base-Base interactions energy: -20.190 where: short stacking energy: -20.190 Base-Backbone interact. energy: -0.095 local terms energy: -30.421435 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -3.740 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: 5, replica: 10 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -56.044984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.044984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.044984 (E_RNA) where: Base-Base interactions energy: -23.571 where: short stacking energy: -23.571 Base-Backbone interact. energy: -0.043 local terms energy: -32.430243 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.530 flat angles P-C4'-P energy: -3.939 tors. eta vs tors. theta energy: -6.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -49.911201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.911201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.911201 (E_RNA) where: Base-Base interactions energy: -18.908 where: short stacking energy: -18.908 Base-Backbone interact. energy: -0.050 local terms energy: -30.953052 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -4.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -44.164858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.164858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.164858 (E_RNA) where: Base-Base interactions energy: -18.672 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.002 local terms energy: -25.491073 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: 0.796 tors. eta vs tors. theta energy: -4.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -49.046243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.046243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.046243 (E_RNA) where: Base-Base interactions energy: -22.303 where: short stacking energy: -15.683 Base-Backbone interact. energy: -0.036 local terms energy: -26.706714 where: bonds (distance) C4'-P energy: -2.658 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -51.172418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.172418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.172418 (E_RNA) where: Base-Base interactions energy: -19.702 where: short stacking energy: -18.694 Base-Backbone interact. energy: -0.000 local terms energy: -31.470220 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -3.895 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -6.065 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: 9 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -39.957434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.957434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.957434 (E_RNA) where: Base-Base interactions energy: -14.470 where: short stacking energy: -14.470 Base-Backbone interact. energy: -0.024 local terms energy: -25.463035 where: bonds (distance) C4'-P energy: -5.960 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -2.160 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -64.670816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.670816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.670816 (E_RNA) where: Base-Base interactions energy: -28.023 where: short stacking energy: -28.023 Base-Backbone interact. energy: -0.000 local terms energy: -36.648062 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -64.556652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.556652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.556652 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -29.550 Base-Backbone interact. energy: -0.001 local terms energy: -35.005383 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.168 flat angles P-C4'-P energy: -5.834 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: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -55.671261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.671261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.671261 (E_RNA) where: Base-Base interactions energy: -26.997 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.003 local terms energy: -28.671256 where: bonds (distance) C4'-P energy: -5.759 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -5.169 flat angles P-C4'-P energy: -6.393 tors. eta vs tors. theta energy: -4.275 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: 10 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -53.616147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.616147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.616147 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.087 local terms energy: -33.920932 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -4.851 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: 5, replica: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -53.945191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.945191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.945191 (E_RNA) where: Base-Base interactions energy: -21.537 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.008 local terms energy: -32.400020 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -4.758 tors. eta vs tors. theta energy: -4.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -52.099952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.099952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.099952 (E_RNA) where: Base-Base interactions energy: -20.870 where: short stacking energy: -20.251 Base-Backbone interact. energy: -0.025 local terms energy: -31.205169 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -0.639 tors. eta vs tors. theta energy: -5.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -48.781352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.781352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.781352 (E_RNA) where: Base-Base interactions energy: -22.430 where: short stacking energy: -21.011 Base-Backbone interact. energy: -0.147 local terms energy: -26.204214 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -4.827 flat angles P-C4'-P energy: -4.140 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: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -48.882400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.882400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.882400 (E_RNA) where: Base-Base interactions energy: -20.029 where: short stacking energy: -19.131 Base-Backbone interact. energy: -0.225 local terms energy: -28.627940 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -51.177051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.177051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.177051 (E_RNA) where: Base-Base interactions energy: -22.559 where: short stacking energy: -22.559 Base-Backbone interact. energy: -0.001 local terms energy: -28.617680 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -4.982 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: 10, replica: 9 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -40.824918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.824918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.824918 (E_RNA) where: Base-Base interactions energy: -10.634 where: short stacking energy: -10.634 Base-Backbone interact. energy: -0.137 local terms energy: -30.053705 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -58.292072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.292072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.292072 (E_RNA) where: Base-Base interactions energy: -23.253 where: short stacking energy: -23.253 Base-Backbone interact. energy: -0.077 local terms energy: -34.961490 where: bonds (distance) C4'-P energy: -6.461 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -50.638321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.638321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.638321 (E_RNA) where: Base-Base interactions energy: -18.001 where: short stacking energy: -17.802 Base-Backbone interact. energy: 0.023 local terms energy: -32.659754 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.035 flat angles P-C4'-P energy: -6.149 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: 3, replica: 10 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -62.081796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.081796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.081796 (E_RNA) where: Base-Base interactions energy: -22.575 where: short stacking energy: -22.575 Base-Backbone interact. energy: -0.001 local terms energy: -39.506223 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.663 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: -8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -59.229481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.229481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.229481 (E_RNA) where: Base-Base interactions energy: -26.743 where: short stacking energy: -24.588 Base-Backbone interact. energy: -0.000 local terms energy: -32.485973 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -5.500 flat angles C4'-P-C4' energy: -5.925 flat angles P-C4'-P energy: -6.900 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: 5, replica: 7 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -60.932063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.932063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.932063 (E_RNA) where: Base-Base interactions energy: -29.585 where: short stacking energy: -18.231 Base-Backbone interact. energy: -0.195 local terms energy: -31.152308 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.764 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -51.925043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.925043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.925043 (E_RNA) where: Base-Base interactions energy: -20.827 where: short stacking energy: -20.546 Base-Backbone interact. energy: -0.008 local terms energy: -31.090568 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -5.955 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: 7, replica: 4 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -51.062070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.062070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.062070 (E_RNA) where: Base-Base interactions energy: -23.397 where: short stacking energy: -16.813 Base-Backbone interact. energy: 0.772 local terms energy: -28.437124 where: bonds (distance) C4'-P energy: -1.213 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -6.884 tors. eta vs tors. theta energy: -6.549 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: 1 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -51.200648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.200648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.200648 (E_RNA) where: Base-Base interactions energy: -22.344 where: short stacking energy: -9.133 Base-Backbone interact. energy: -0.624 local terms energy: -28.231921 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -45.214491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.214491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.214491 (E_RNA) where: Base-Base interactions energy: -16.134 where: short stacking energy: -16.134 Base-Backbone interact. energy: 0.727 local terms energy: -29.807088 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -2.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -47.346022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.346022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.346022 (E_RNA) where: Base-Base interactions energy: -17.860 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.905 local terms energy: -28.580551 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -2.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -64.112452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.112452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.112452 (E_RNA) where: Base-Base interactions energy: -30.529 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.000 local terms energy: -33.583389 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.754 flat angles P-C4'-P energy: -7.349 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: 2, replica: 10 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -66.364352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.364352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.364352 (E_RNA) where: Base-Base interactions energy: -29.059 where: short stacking energy: -29.059 Base-Backbone interact. energy: -0.001 local terms energy: -37.304212 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -5.283 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: 3, replica: 3 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -60.927671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.927671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.927671 (E_RNA) where: Base-Base interactions energy: -27.980 where: short stacking energy: -23.343 Base-Backbone interact. energy: -0.027 local terms energy: -32.921250 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -4.968 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: 4, replica: 7 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -60.146359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.146359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.146359 (E_RNA) where: Base-Base interactions energy: -30.623 where: short stacking energy: -28.842 Base-Backbone interact. energy: 0.999 local terms energy: -30.521997 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -3.999 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -50.339692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.339692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.339692 (E_RNA) where: Base-Base interactions energy: -22.024 where: short stacking energy: -14.372 Base-Backbone interact. energy: -0.034 local terms energy: -28.281055 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -5.123 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: 6, replica: 4 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -51.445890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.445890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.445890 (E_RNA) where: Base-Base interactions energy: -20.560 where: short stacking energy: -20.560 Base-Backbone interact. energy: -0.000 local terms energy: -30.885842 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -6.681 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: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -47.511595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.511595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.511595 (E_RNA) where: Base-Base interactions energy: -14.876 where: short stacking energy: -14.876 Base-Backbone interact. energy: -0.035 local terms energy: -32.600332 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -4.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -52.589288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.589288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.589288 (E_RNA) where: Base-Base interactions energy: -19.441 where: short stacking energy: -19.441 Base-Backbone interact. energy: -0.000 local terms energy: -33.148222 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -5.294 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: 9, replica: 1 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -50.876061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.876061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.876061 (E_RNA) where: Base-Base interactions energy: -24.889 where: short stacking energy: -15.311 Base-Backbone interact. energy: -0.172 local terms energy: -25.815240 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -3.423 tors. eta vs tors. theta energy: -1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -43.642542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.642542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.642542 (E_RNA) where: Base-Base interactions energy: -14.483 where: short stacking energy: -13.495 Base-Backbone interact. energy: -0.066 local terms energy: -29.094115 where: bonds (distance) C4'-P energy: -5.407 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -1.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -64.435988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.435988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.435988 (E_RNA) where: Base-Base interactions energy: -28.408 where: short stacking energy: -28.408 Base-Backbone interact. energy: 0.174 local terms energy: -36.201985 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -3.795 tors. eta vs tors. theta energy: -6.554 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: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -50.987361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.987361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.987361 (E_RNA) where: Base-Base interactions energy: -18.917 where: short stacking energy: -18.917 Base-Backbone interact. energy: -0.066 local terms energy: -32.004414 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.212 flat angles P-C4'-P energy: -3.613 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: 3, replica: 7 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -55.087358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.087358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.087358 (E_RNA) where: Base-Base interactions energy: -23.434 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.052 local terms energy: -31.601353 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -3.040 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: 4, replica: 3 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -65.988689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.988689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.988689 (E_RNA) where: Base-Base interactions energy: -29.514 where: short stacking energy: -18.221 Base-Backbone interact. energy: -0.252 local terms energy: -36.222752 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -6.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -54.980790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.980790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.980790 (E_RNA) where: Base-Base interactions energy: -22.078 where: short stacking energy: -20.848 Base-Backbone interact. energy: -0.005 local terms energy: -32.898368 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -5.701 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: 6, replica: 8 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -53.931697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.931697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.931697 (E_RNA) where: Base-Base interactions energy: -22.987 where: short stacking energy: -22.987 Base-Backbone interact. energy: -0.008 local terms energy: -30.936487 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -4.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -50.146439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.146439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.146439 (E_RNA) where: Base-Base interactions energy: -23.204 where: short stacking energy: -23.204 Base-Backbone interact. energy: -0.057 local terms energy: -26.885459 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -4.107 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -2.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -51.281402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.281402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.281402 (E_RNA) where: Base-Base interactions energy: -21.849 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.000 local terms energy: -29.431475 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -6.552 flat angles P-C4'-P energy: -3.041 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: 9 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -51.064194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.064194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.064194 (E_RNA) where: Base-Base interactions energy: -17.468 where: short stacking energy: -17.468 Base-Backbone interact. energy: -0.088 local terms energy: -33.508355 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -4.592 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: 1 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -37.127651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.127651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.127651 (E_RNA) where: Base-Base interactions energy: -12.342 where: short stacking energy: -12.342 Base-Backbone interact. energy: -0.092 local terms energy: -24.693489 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -1.602 tors. eta vs tors. theta energy: 1.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -71.983231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.983231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.983231 (E_RNA) where: Base-Base interactions energy: -33.896 where: short stacking energy: -29.649 Base-Backbone interact. energy: -0.000 local terms energy: -38.086832 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -8.116 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: 7 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -65.039521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.039521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.039521 (E_RNA) where: Base-Base interactions energy: -30.982 where: short stacking energy: -17.526 Base-Backbone interact. energy: -0.167 local terms energy: -33.889863 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.322 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: 5 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -69.645335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.645335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.645335 (E_RNA) where: Base-Base interactions energy: -34.211 where: short stacking energy: -34.211 Base-Backbone interact. energy: -0.001 local terms energy: -35.433090 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -5.466 tors. eta vs tors. theta energy: -11.465 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: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -51.634611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.634611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.634611 (E_RNA) where: Base-Base interactions energy: -25.422 where: short stacking energy: -15.434 Base-Backbone interact. energy: -0.005 local terms energy: -26.207526 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -7.379 flat angles C4'-P-C4' energy: -5.752 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -4.077 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: 4 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -49.445934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.445934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.445934 (E_RNA) where: Base-Base interactions energy: -15.268 where: short stacking energy: -15.268 Base-Backbone interact. energy: -0.000 local terms energy: -34.177218 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.899 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: 6, replica: 6 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -46.795664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.795664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.795664 (E_RNA) where: Base-Base interactions energy: -18.624 where: short stacking energy: -18.624 Base-Backbone interact. energy: -0.002 local terms energy: -28.169532 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.155 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -3.948 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: 209 Temperature: 1.200000 Total energy: -49.286413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.286413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.286413 (E_RNA) where: Base-Base interactions energy: -20.032 where: short stacking energy: -20.032 Base-Backbone interact. energy: -0.015 local terms energy: -29.238952 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -4.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -44.959697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.959697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.959697 (E_RNA) where: Base-Base interactions energy: -19.746 where: short stacking energy: -19.746 Base-Backbone interact. energy: -0.003 local terms energy: -25.210539 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -3.868 flat angles P-C4'-P energy: -2.957 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -45.152153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.152153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.152153 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.019 local terms energy: -32.014728 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.642 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -4.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -47.058176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.058176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.058176 (E_RNA) where: Base-Base interactions energy: -17.119 where: short stacking energy: -17.119 Base-Backbone interact. energy: -0.002 local terms energy: -29.937979 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -4.204 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -65.988282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.988282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.988282 (E_RNA) where: Base-Base interactions energy: -29.573 where: short stacking energy: -27.151 Base-Backbone interact. energy: -0.058 local terms energy: -36.356715 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.767 flat angles P-C4'-P energy: -5.602 tors. eta vs tors. theta energy: -7.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -60.715588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.715588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.715588 (E_RNA) where: Base-Base interactions energy: -27.515 where: short stacking energy: -26.562 Base-Backbone interact. energy: -0.000 local terms energy: -33.200420 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -5.011 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -60.041127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.041127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.041127 (E_RNA) where: Base-Base interactions energy: -25.790 where: short stacking energy: -18.156 Base-Backbone interact. energy: -0.001 local terms energy: -34.249408 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -62.661568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.661568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.661568 (E_RNA) where: Base-Base interactions energy: -26.751 where: short stacking energy: -25.349 Base-Backbone interact. energy: -0.000 local terms energy: -35.910784 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -4.565 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: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -46.310716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.310716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.310716 (E_RNA) where: Base-Base interactions energy: -17.654 where: short stacking energy: -17.654 Base-Backbone interact. energy: -0.009 local terms energy: -28.648295 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -5.986 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: 6, replica: 4 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -54.977379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.977379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.977379 (E_RNA) where: Base-Base interactions energy: -20.964 where: short stacking energy: -20.964 Base-Backbone interact. energy: -0.074 local terms energy: -33.939715 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.617 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: 7, replica: 9 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -49.523440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.523440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.523440 (E_RNA) where: Base-Base interactions energy: -21.471 where: short stacking energy: -13.641 Base-Backbone interact. energy: -0.101 local terms energy: -27.952301 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -5.274 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -2.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -52.460668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.460668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.460668 (E_RNA) where: Base-Base interactions energy: -22.667 where: short stacking energy: -22.667 Base-Backbone interact. energy: -0.001 local terms energy: -29.793235 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.415 flat angles P-C4'-P energy: -4.983 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -38.472382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.472382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.472382 (E_RNA) where: Base-Base interactions energy: -12.074 where: short stacking energy: -12.074 Base-Backbone interact. energy: -0.002 local terms energy: -26.396273 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -0.713 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: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -44.876590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.876590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.876590 (E_RNA) where: Base-Base interactions energy: -13.014 where: short stacking energy: -12.398 Base-Backbone interact. energy: -0.064 local terms energy: -31.798105 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -0.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -69.820943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.820943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.820943 (E_RNA) where: Base-Base interactions energy: -37.591 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.882 local terms energy: -31.348486 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.593 tors. eta vs tors. theta energy: -4.042 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: 10 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -59.731469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.731469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.731469 (E_RNA) where: Base-Base interactions energy: -25.964 where: short stacking energy: -21.290 Base-Backbone interact. energy: -0.000 local terms energy: -33.767522 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -6.547 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: 3, replica: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -58.164137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.164137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.164137 (E_RNA) where: Base-Base interactions energy: -27.364 where: short stacking energy: -27.364 Base-Backbone interact. energy: -0.016 local terms energy: -30.783478 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -58.131978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.131978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.131978 (E_RNA) where: Base-Base interactions energy: -20.955 where: short stacking energy: -20.955 Base-Backbone interact. energy: -0.000 local terms energy: -37.176702 where: bonds (distance) C4'-P energy: -5.830 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -6.262 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: 5, replica: 5 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -61.117915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.117915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.117915 (E_RNA) where: Base-Base interactions energy: -32.494 where: short stacking energy: -21.171 Base-Backbone interact. energy: -0.054 local terms energy: -28.569716 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.316 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -1.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -49.452001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.452001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.452001 (E_RNA) where: Base-Base interactions energy: -17.974 where: short stacking energy: -17.974 Base-Backbone interact. energy: -0.002 local terms energy: -31.476248 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.973 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: 4 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -44.910161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.910161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.910161 (E_RNA) where: Base-Base interactions energy: -12.983 where: short stacking energy: -12.983 Base-Backbone interact. energy: -0.031 local terms energy: -31.895795 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.102 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -45.998886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.998886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.998886 (E_RNA) where: Base-Base interactions energy: -17.990 where: short stacking energy: -17.990 Base-Backbone interact. energy: -0.017 local terms energy: -27.991981 where: bonds (distance) C4'-P energy: -5.490 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.630 tors. eta vs tors. theta energy: -2.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -41.032275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.032275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.032275 (E_RNA) where: Base-Base interactions energy: -13.646 where: short stacking energy: -13.646 Base-Backbone interact. energy: -0.080 local terms energy: -27.307016 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -7.090 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -47.929435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.929435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.929435 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -15.601 Base-Backbone interact. energy: -0.000 local terms energy: -32.328518 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -3.323 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -9.192 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: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -64.056654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.056654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.056654 (E_RNA) where: Base-Base interactions energy: -30.599 where: short stacking energy: -23.611 Base-Backbone interact. energy: 0.037 local terms energy: -33.494920 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -55.121501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.121501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.121501 (E_RNA) where: Base-Base interactions energy: -22.735 where: short stacking energy: -22.735 Base-Backbone interact. energy: -0.000 local terms energy: -32.386280 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -1.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -61.203984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.203984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.203984 (E_RNA) where: Base-Base interactions energy: -25.149 where: short stacking energy: -18.617 Base-Backbone interact. energy: -0.000 local terms energy: -36.054617 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -63.473225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.473225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.473225 (E_RNA) where: Base-Base interactions energy: -29.573 where: short stacking energy: -29.573 Base-Backbone interact. energy: -0.000 local terms energy: -33.900027 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -9.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -55.227007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.227007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.227007 (E_RNA) where: Base-Base interactions energy: -21.351 where: short stacking energy: -21.351 Base-Backbone interact. energy: -0.000 local terms energy: -33.875899 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -4.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -49.593606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.593606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.593606 (E_RNA) where: Base-Base interactions energy: -16.469 where: short stacking energy: -16.469 Base-Backbone interact. energy: -0.000 local terms energy: -33.124251 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -44.116638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.116638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.116638 (E_RNA) where: Base-Base interactions energy: -21.076 where: short stacking energy: -15.435 Base-Backbone interact. energy: -0.023 local terms energy: -23.017768 where: bonds (distance) C4'-P energy: -4.400 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -50.519495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.519495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.519495 (E_RNA) where: Base-Base interactions energy: -21.972 where: short stacking energy: -21.972 Base-Backbone interact. energy: -0.076 local terms energy: -28.471910 where: bonds (distance) C4'-P energy: -2.859 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.762 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -3.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -45.876333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.876333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.876333 (E_RNA) where: Base-Base interactions energy: -14.158 where: short stacking energy: -14.158 Base-Backbone interact. energy: -0.003 local terms energy: -31.715683 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.858 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -41.013417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.013417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.013417 (E_RNA) where: Base-Base interactions energy: -15.767 where: short stacking energy: -15.842 Base-Backbone interact. energy: -0.164 local terms energy: -25.082542 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -4.977 flat angles C4'-P-C4' energy: -5.330 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -1.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -71.658535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.658535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.658535 (E_RNA) where: Base-Base interactions energy: -35.289 where: short stacking energy: -22.268 Base-Backbone interact. energy: -0.041 local terms energy: -36.328688 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -5.946 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: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -70.162546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.162546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.162546 (E_RNA) where: Base-Base interactions energy: -35.647 where: short stacking energy: -28.960 Base-Backbone interact. energy: -0.000 local terms energy: -34.515896 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -8.343 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: 3, replica: 7 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -56.131811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.131811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.131811 (E_RNA) where: Base-Base interactions energy: -24.116 where: short stacking energy: -24.116 Base-Backbone interact. energy: -0.000 local terms energy: -32.015737 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -50.573351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.573351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.573351 (E_RNA) where: Base-Base interactions energy: -14.460 where: short stacking energy: -14.460 Base-Backbone interact. energy: -0.001 local terms energy: -36.112564 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.118 flat angles P-C4'-P energy: -7.035 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: 5, replica: 3 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -66.367038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.367038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.367038 (E_RNA) where: Base-Base interactions energy: -32.493 where: short stacking energy: -32.493 Base-Backbone interact. energy: -0.000 local terms energy: -33.873928 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -50.068911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.068911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.068911 (E_RNA) where: Base-Base interactions energy: -24.389 where: short stacking energy: -17.335 Base-Backbone interact. energy: -0.337 local terms energy: -25.342436 where: bonds (distance) C4'-P energy: -4.803 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -48.951092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.951092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.951092 (E_RNA) where: Base-Base interactions energy: -19.416 where: short stacking energy: -20.812 Base-Backbone interact. energy: -0.000 local terms energy: -29.534815 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.050 flat angles P-C4'-P energy: -1.914 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: 8, replica: 4 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -40.220261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.220261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.220261 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -12.419 Base-Backbone interact. energy: -0.039 local terms energy: -24.960214 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -1.112 tors. eta vs tors. theta energy: -0.140 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: 213 Temperature: 1.300000 Total energy: -42.545579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.545579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.545579 (E_RNA) where: Base-Base interactions energy: -18.431 where: short stacking energy: -10.086 Base-Backbone interact. energy: 2.457 local terms energy: -26.571462 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: 0.817 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: 8 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -43.676099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.676099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.676099 (E_RNA) where: Base-Base interactions energy: -19.122 where: short stacking energy: -13.092 Base-Backbone interact. energy: -0.171 local terms energy: -24.382167 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -5.468 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: 0.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -84.491578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.491578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.491578 (E_RNA) where: Base-Base interactions energy: -45.751 where: short stacking energy: -32.199 Base-Backbone interact. energy: -0.000 local terms energy: -38.740778 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -8.612 flat angles P-C4'-P energy: -6.307 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: 2, replica: 6 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -66.781491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.781491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.781491 (E_RNA) where: Base-Base interactions energy: -39.576 where: short stacking energy: -23.478 Base-Backbone interact. energy: -0.006 local terms energy: -27.199198 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -2.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -52.284628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.284628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.284628 (E_RNA) where: Base-Base interactions energy: -21.016 where: short stacking energy: -21.016 Base-Backbone interact. energy: -0.000 local terms energy: -31.268151 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -3.917 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: 7 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -62.197598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.197598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.197598 (E_RNA) where: Base-Base interactions energy: -31.363 where: short stacking energy: -19.797 Base-Backbone interact. energy: -0.093 local terms energy: -30.742033 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.734 flat angles P-C4'-P energy: -6.853 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: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -56.274553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.274553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.274553 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -22.053 Base-Backbone interact. energy: -0.075 local terms energy: -30.469652 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -3.687 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: 6, replica: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -49.583577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.583577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.583577 (E_RNA) where: Base-Base interactions energy: -25.944 where: short stacking energy: -15.813 Base-Backbone interact. energy: -0.114 local terms energy: -23.525724 where: bonds (distance) C4'-P energy: -1.188 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -4.993 flat angles P-C4'-P energy: -6.748 tors. eta vs tors. theta energy: -4.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -54.516877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.516877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.516877 (E_RNA) where: Base-Base interactions energy: -20.741 where: short stacking energy: -20.741 Base-Backbone interact. energy: -0.006 local terms energy: -33.769421 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -5.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -44.281696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.281696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.281696 (E_RNA) where: Base-Base interactions energy: -16.208 where: short stacking energy: -16.208 Base-Backbone interact. energy: -0.000 local terms energy: -28.073323 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -1.566 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: 9, replica: 8 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -48.709333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.709333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.709333 (E_RNA) where: Base-Base interactions energy: -21.478 where: short stacking energy: -21.478 Base-Backbone interact. energy: -0.104 local terms energy: -27.127868 where: bonds (distance) C4'-P energy: -3.725 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -2.408 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: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -45.445773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.445773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.445773 (E_RNA) where: Base-Base interactions energy: -16.161 where: short stacking energy: -16.161 Base-Backbone interact. energy: -0.080 local terms energy: -29.204823 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -5.808 flat angles P-C4'-P energy: -7.053 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: 1, replica: 10 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -79.310395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.310395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.310395 (E_RNA) where: Base-Base interactions energy: -41.746 where: short stacking energy: -32.697 Base-Backbone interact. energy: -0.002 local terms energy: -37.563212 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -9.020 flat angles P-C4'-P energy: -5.844 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: 6 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -71.252206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.252206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.252206 (E_RNA) where: Base-Base interactions energy: -33.595 where: short stacking energy: -26.605 Base-Backbone interact. energy: -0.000 local terms energy: -37.657121 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -9.462 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: 3, replica: 5 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -59.031387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.031387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.031387 (E_RNA) where: Base-Base interactions energy: -24.681 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.002 local terms energy: -34.348477 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -8.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -50.275763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.275763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.275763 (E_RNA) where: Base-Base interactions energy: -18.281 where: short stacking energy: -18.281 Base-Backbone interact. energy: -0.600 local terms energy: -31.394224 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -2.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -49.827969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.827969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.827969 (E_RNA) where: Base-Base interactions energy: -19.653 where: short stacking energy: -10.263 Base-Backbone interact. energy: -0.291 local terms energy: -29.883738 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.687 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -48.361456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.361456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.361456 (E_RNA) where: Base-Base interactions energy: -19.447 where: short stacking energy: -18.333 Base-Backbone interact. energy: -0.074 local terms energy: -28.839963 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.312 flat angles C4'-P-C4' energy: -5.784 flat angles P-C4'-P energy: -6.192 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: 215 Temperature: 1.200000 Total energy: -43.745459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.745459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.745459 (E_RNA) where: Base-Base interactions energy: -16.310 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.002 local terms energy: -27.432658 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -6.459 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -5.732 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: 8, replica: 8 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -55.338114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.338114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.338114 (E_RNA) where: Base-Base interactions energy: -24.704 where: short stacking energy: -24.704 Base-Backbone interact. energy: -0.001 local terms energy: -30.633609 where: bonds (distance) C4'-P energy: -3.323 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -5.598 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: 9, replica: 9 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -46.050766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.050766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.050766 (E_RNA) where: Base-Base interactions energy: -15.629 where: short stacking energy: -8.401 Base-Backbone interact. energy: -0.105 local terms energy: -30.316961 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -2.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -43.222737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.222737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.222737 (E_RNA) where: Base-Base interactions energy: -15.154 where: short stacking energy: -15.154 Base-Backbone interact. energy: -0.026 local terms energy: -28.042865 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -84.056998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.056998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.056998 (E_RNA) where: Base-Base interactions energy: -51.856 where: short stacking energy: -24.156 Base-Backbone interact. energy: -0.010 local terms energy: -32.191281 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -5.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -63.269906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.269906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.269906 (E_RNA) where: Base-Base interactions energy: -30.100 where: short stacking energy: -30.100 Base-Backbone interact. energy: -0.001 local terms energy: -33.168977 where: bonds (distance) C4'-P energy: -5.580 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -5.805 flat angles P-C4'-P energy: -5.786 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: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -56.894331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.894331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.894331 (E_RNA) where: Base-Base interactions energy: -23.572 where: short stacking energy: -20.920 Base-Backbone interact. energy: -0.076 local terms energy: -33.246757 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -4.172 flat angles P-C4'-P energy: -6.099 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: 4, replica: 5 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -63.823157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.823157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.823157 (E_RNA) where: Base-Base interactions energy: -26.417 where: short stacking energy: -26.417 Base-Backbone interact. energy: -0.000 local terms energy: -37.405996 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -51.544304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.544304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.544304 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -20.343 Base-Backbone interact. energy: -0.001 local terms energy: -31.200514 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.841 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -4.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -47.399622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.399622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.399622 (E_RNA) where: Base-Base interactions energy: -17.645 where: short stacking energy: -17.645 Base-Backbone interact. energy: -0.051 local terms energy: -29.703381 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -5.011 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: 7, replica: 8 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -46.457423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.457423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.457423 (E_RNA) where: Base-Base interactions energy: -15.979 where: short stacking energy: -15.979 Base-Backbone interact. energy: -0.040 local terms energy: -30.438874 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -7.542 tors. eta vs tors. theta energy: -1.508 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: 3 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -42.361547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.361547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.361547 (E_RNA) where: Base-Base interactions energy: -13.653 where: short stacking energy: -13.653 Base-Backbone interact. energy: -0.057 local terms energy: -28.651143 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -0.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -41.148621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148621 (E_RNA) where: Base-Base interactions energy: -15.613 where: short stacking energy: -15.613 Base-Backbone interact. energy: -0.000 local terms energy: -25.534758 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -2.827 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -3.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -42.090508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.090508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.090508 (E_RNA) where: Base-Base interactions energy: -14.281 where: short stacking energy: -12.950 Base-Backbone interact. energy: -0.018 local terms energy: -27.791468 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -1.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -78.220940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.220940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.220940 (E_RNA) where: Base-Base interactions energy: -41.851 where: short stacking energy: -27.778 Base-Backbone interact. energy: -0.001 local terms energy: -36.368471 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -5.111 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: 2, replica: 1 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -80.430627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.430627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.430627 (E_RNA) where: Base-Base interactions energy: -44.783 where: short stacking energy: -18.893 Base-Backbone interact. energy: -0.017 local terms energy: -35.631077 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -6.256 tors. eta vs tors. theta energy: -7.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -58.924691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.924691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.924691 (E_RNA) where: Base-Base interactions energy: -23.523 where: short stacking energy: -23.523 Base-Backbone interact. energy: -0.456 local terms energy: -34.945128 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -6.541 tors. eta vs tors. theta energy: -5.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -54.008774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.008774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.008774 (E_RNA) where: Base-Base interactions energy: -21.566 where: short stacking energy: -21.566 Base-Backbone interact. energy: -0.002 local terms energy: -32.440309 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -5.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -45.541202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.541202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.541202 (E_RNA) where: Base-Base interactions energy: -13.851 where: short stacking energy: -13.851 Base-Backbone interact. energy: -0.173 local terms energy: -31.517596 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -59.687812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.687812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.687812 (E_RNA) where: Base-Base interactions energy: -25.356 where: short stacking energy: -24.193 Base-Backbone interact. energy: -0.001 local terms energy: -34.331525 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.583 flat angles P-C4'-P energy: -7.263 tors. eta vs tors. theta energy: -3.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -50.754362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.754362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.754362 (E_RNA) where: Base-Base interactions energy: -23.200 where: short stacking energy: -21.882 Base-Backbone interact. energy: -0.005 local terms energy: -27.549202 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -3.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -47.725480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.725480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.725480 (E_RNA) where: Base-Base interactions energy: -22.638 where: short stacking energy: -20.532 Base-Backbone interact. energy: -0.012 local terms energy: -25.074842 where: bonds (distance) C4'-P energy: -4.607 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -3.281 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -44.220230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.220230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.220230 (E_RNA) where: Base-Base interactions energy: -22.991 where: short stacking energy: -16.425 Base-Backbone interact. energy: -0.052 local terms energy: -21.176867 where: bonds (distance) C4'-P energy: -1.320 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -4.661 flat angles P-C4'-P energy: -4.286 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: 10, replica: 9 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -42.089263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.089263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.089263 (E_RNA) where: Base-Base interactions energy: -19.643 where: short stacking energy: -9.542 Base-Backbone interact. energy: -0.185 local terms energy: -22.261831 where: bonds (distance) C4'-P energy: -3.432 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: 3.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -74.631238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.631238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.631238 (E_RNA) where: Base-Base interactions energy: -36.983 where: short stacking energy: -29.988 Base-Backbone interact. energy: -0.472 local terms energy: -37.176119 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.956 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -7.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -62.175458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.175458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.175458 (E_RNA) where: Base-Base interactions energy: -25.841 where: short stacking energy: -25.841 Base-Backbone interact. energy: 0.236 local terms energy: -36.570507 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -7.517 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: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -59.321830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.321830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.321830 (E_RNA) where: Base-Base interactions energy: -24.327 where: short stacking energy: -24.327 Base-Backbone interact. energy: -0.000 local terms energy: -34.994410 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -1.636 tors. eta vs tors. theta energy: -8.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -48.616099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.616099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.616099 (E_RNA) where: Base-Base interactions energy: -23.304 where: short stacking energy: -16.028 Base-Backbone interact. energy: -0.005 local terms energy: -25.307188 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -3.626 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -2.403 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: 8 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -59.329863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.329863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.329863 (E_RNA) where: Base-Base interactions energy: -24.585 where: short stacking energy: -24.585 Base-Backbone interact. energy: -0.000 local terms energy: -34.744181 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -51.150516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.150516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.150516 (E_RNA) where: Base-Base interactions energy: -22.123 where: short stacking energy: -22.123 Base-Backbone interact. energy: -0.019 local terms energy: -29.009083 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -4.743 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: 7, replica: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -49.132006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.132006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.132006 (E_RNA) where: Base-Base interactions energy: -22.330 where: short stacking energy: -22.330 Base-Backbone interact. energy: -0.000 local terms energy: -26.801967 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -3.651 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -3.651 tors. eta vs tors. theta energy: -3.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -47.036303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.036303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.036303 (E_RNA) where: Base-Base interactions energy: -22.282 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.136 local terms energy: -24.618391 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -0.290 tors. eta vs tors. theta energy: -2.255 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: 9 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -46.813705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.813705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.813705 (E_RNA) where: Base-Base interactions energy: -20.812 where: short stacking energy: -12.962 Base-Backbone interact. energy: -0.017 local terms energy: -25.985037 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: 0.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -38.190077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.190077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.190077 (E_RNA) where: Base-Base interactions energy: -14.435 where: short stacking energy: -14.635 Base-Backbone interact. energy: -0.122 local terms energy: -23.632540 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.583 flat angles P-C4'-P energy: -1.828 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -82.196270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.196270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.196270 (E_RNA) where: Base-Base interactions energy: -50.386 where: short stacking energy: -29.895 Base-Backbone interact. energy: 0.519 local terms energy: -32.330118 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -3.201 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: 2, replica: 6 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -64.502316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.502316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.502316 (E_RNA) where: Base-Base interactions energy: -24.785 where: short stacking energy: -24.785 Base-Backbone interact. energy: -0.002 local terms energy: -39.715474 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -55.215668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.215668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.215668 (E_RNA) where: Base-Base interactions energy: -23.167 where: short stacking energy: -23.167 Base-Backbone interact. energy: -0.002 local terms energy: -32.047263 where: bonds (distance) C4'-P energy: -7.784 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -4.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -59.066549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.066549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.066549 (E_RNA) where: Base-Base interactions energy: -28.462 where: short stacking energy: -24.608 Base-Backbone interact. energy: -0.100 local terms energy: -30.504262 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -4.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -45.711530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.711530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.711530 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.004 local terms energy: -29.351236 where: bonds (distance) C4'-P energy: -6.172 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -5.703 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: 6, replica: 3 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -47.582889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.582889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.582889 (E_RNA) where: Base-Base interactions energy: -18.519 where: short stacking energy: -13.305 Base-Backbone interact. energy: -0.035 local terms energy: -29.028854 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -4.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -49.202459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.202459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.202459 (E_RNA) where: Base-Base interactions energy: -20.846 where: short stacking energy: -20.846 Base-Backbone interact. energy: -0.000 local terms energy: -28.355889 where: bonds (distance) C4'-P energy: -2.644 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -5.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -43.909226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.909226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.909226 (E_RNA) where: Base-Base interactions energy: -19.395 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.131 local terms energy: -24.382966 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -2.251 tors. eta vs tors. theta energy: 0.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -52.823955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.823955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.823955 (E_RNA) where: Base-Base interactions energy: -22.184 where: short stacking energy: -19.823 Base-Backbone interact. energy: -0.006 local terms energy: -30.634407 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.573 flat angles P-C4'-P energy: -3.555 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -48.125440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.125440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.125440 (E_RNA) where: Base-Base interactions energy: -20.087 where: short stacking energy: -20.087 Base-Backbone interact. energy: 0.830 local terms energy: -28.868480 where: bonds (distance) C4'-P energy: -5.502 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -80.760373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.760373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.760373 (E_RNA) where: Base-Base interactions energy: -44.308 where: short stacking energy: -30.456 Base-Backbone interact. energy: -0.019 local terms energy: -36.433219 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -3.540 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: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -73.598221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.598221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.598221 (E_RNA) where: Base-Base interactions energy: -38.286 where: short stacking energy: -21.063 Base-Backbone interact. energy: -0.000 local terms energy: -35.312543 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.446 tors. eta vs tors. theta energy: -5.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -61.367635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.367635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.367635 (E_RNA) where: Base-Base interactions energy: -29.909 where: short stacking energy: -17.791 Base-Backbone interact. energy: -0.010 local terms energy: -31.448315 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.577 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -48.791074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.791074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.791074 (E_RNA) where: Base-Base interactions energy: -14.751 where: short stacking energy: -14.751 Base-Backbone interact. energy: -0.001 local terms energy: -34.039763 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -7.470 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: 5, replica: 3 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -55.885357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.885357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.885357 (E_RNA) where: Base-Base interactions energy: -24.764 where: short stacking energy: -24.764 Base-Backbone interact. energy: -0.000 local terms energy: -31.121158 where: bonds (distance) C4'-P energy: -8.722 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -1.654 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: 6, replica: 4 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -57.612108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.612108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.612108 (E_RNA) where: Base-Base interactions energy: -32.107 where: short stacking energy: -18.779 Base-Backbone interact. energy: -0.048 local terms energy: -25.457125 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -1.513 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -44.335287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.335287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.335287 (E_RNA) where: Base-Base interactions energy: -15.905 where: short stacking energy: -14.769 Base-Backbone interact. energy: -0.117 local terms energy: -28.313080 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -46.864077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.864077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.864077 (E_RNA) where: Base-Base interactions energy: -18.350 where: short stacking energy: -18.350 Base-Backbone interact. energy: -0.150 local terms energy: -28.364342 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -3.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -54.624244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.624244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.624244 (E_RNA) where: Base-Base interactions energy: -25.316 where: short stacking energy: -10.421 Base-Backbone interact. energy: -0.035 local terms energy: -29.274099 where: bonds (distance) C4'-P energy: -7.033 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -4.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -42.343374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.343374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.343374 (E_RNA) where: Base-Base interactions energy: -14.226 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.076 local terms energy: -28.041069 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.304 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -2.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -75.111033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.111033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.111033 (E_RNA) where: Base-Base interactions energy: -45.505 where: short stacking energy: -18.780 Base-Backbone interact. energy: -0.015 local terms energy: -29.591525 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.300 flat angles P-C4'-P energy: -3.158 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: 2, replica: 8 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -59.362051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.362051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.362051 (E_RNA) where: Base-Base interactions energy: -27.598 where: short stacking energy: -23.509 Base-Backbone interact. energy: -0.004 local terms energy: -31.760393 where: bonds (distance) C4'-P energy: -3.470 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -73.728616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.728616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.728616 (E_RNA) where: Base-Base interactions energy: -38.727 where: short stacking energy: -27.574 Base-Backbone interact. energy: -0.668 local terms energy: -34.333501 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.669 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) ================================== temp. level: 4, replica: 3 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -52.829200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.829200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.829200 (E_RNA) where: Base-Base interactions energy: -25.328 where: short stacking energy: -15.258 Base-Backbone interact. energy: -0.000 local terms energy: -27.500824 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -5.406 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -1.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -53.410475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.410475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.410475 (E_RNA) where: Base-Base interactions energy: -25.068 where: short stacking energy: -24.549 Base-Backbone interact. energy: -0.097 local terms energy: -28.245606 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -1.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -52.307336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.307336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.307336 (E_RNA) where: Base-Base interactions energy: -24.054 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.081 local terms energy: -28.172359 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -46.525696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.525696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.525696 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -19.771 Base-Backbone interact. energy: -0.059 local terms energy: -26.529875 where: bonds (distance) C4'-P energy: -3.033 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -3.830 tors. eta vs tors. theta energy: -3.118 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: 7 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -44.043326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.043326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.043326 (E_RNA) where: Base-Base interactions energy: -18.162 where: short stacking energy: -14.544 Base-Backbone interact. energy: -0.120 local terms energy: -25.761413 where: bonds (distance) C4'-P energy: -5.211 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -4.684 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: 9, replica: 9 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -46.844315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.844315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.844315 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.000 local terms energy: -31.154530 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -6.127 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -38.794169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.794169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.794169 (E_RNA) where: Base-Base interactions energy: -13.438 where: short stacking energy: -13.438 Base-Backbone interact. energy: -0.195 local terms energy: -25.161315 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: 0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -69.971916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.971916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.971916 (E_RNA) where: Base-Base interactions energy: -39.337 where: short stacking energy: -12.646 Base-Backbone interact. energy: -0.199 local terms energy: -30.435997 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -59.027974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.027974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.027974 (E_RNA) where: Base-Base interactions energy: -25.699 where: short stacking energy: -25.699 Base-Backbone interact. energy: -0.032 local terms energy: -33.296975 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.131 flat angles P-C4'-P energy: -3.340 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: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -73.391853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.391853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.391853 (E_RNA) where: Base-Base interactions energy: -42.921 where: short stacking energy: -27.631 Base-Backbone interact. energy: 2.304 local terms energy: -32.775098 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -4.829 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: 4, replica: 3 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -49.635113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.635113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.635113 (E_RNA) where: Base-Base interactions energy: -16.564 where: short stacking energy: -13.700 Base-Backbone interact. energy: -0.002 local terms energy: -33.069148 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -6.825 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: 5, replica: 5 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -49.482696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.482696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.482696 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -19.781 Base-Backbone interact. energy: -0.036 local terms energy: -29.665412 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.236 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -46.273996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.273996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.273996 (E_RNA) where: Base-Base interactions energy: -16.007 where: short stacking energy: -16.007 Base-Backbone interact. energy: -0.025 local terms energy: -30.241596 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.864 tors. eta vs tors. theta energy: -2.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -49.197257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.197257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.197257 (E_RNA) where: Base-Base interactions energy: -19.890 where: short stacking energy: -19.890 Base-Backbone interact. energy: -0.090 local terms energy: -29.217107 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -43.651016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.651016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.651016 (E_RNA) where: Base-Base interactions energy: -16.969 where: short stacking energy: -16.969 Base-Backbone interact. energy: -0.091 local terms energy: -26.590613 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -39.755561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.755561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.755561 (E_RNA) where: Base-Base interactions energy: -15.734 where: short stacking energy: -15.734 Base-Backbone interact. energy: -0.001 local terms energy: -24.020564 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: -1.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -44.390399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.390399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.390399 (E_RNA) where: Base-Base interactions energy: -16.437 where: short stacking energy: -15.764 Base-Backbone interact. energy: -0.076 local terms energy: -27.876601 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.749 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -3.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -83.473037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.473037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.473037 (E_RNA) where: Base-Base interactions energy: -52.949 where: short stacking energy: -19.740 Base-Backbone interact. energy: 0.087 local terms energy: -30.611141 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.808 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -72.713593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.713593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.713593 (E_RNA) where: Base-Base interactions energy: -35.966 where: short stacking energy: -24.933 Base-Backbone interact. energy: -0.001 local terms energy: -36.746204 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -7.189 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: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -57.613754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.613754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.613754 (E_RNA) where: Base-Base interactions energy: -31.769 where: short stacking energy: -17.985 Base-Backbone interact. energy: -0.053 local terms energy: -25.791316 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.327 flat angles P-C4'-P energy: -2.508 tors. eta vs tors. theta energy: -3.521 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: 5 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -55.035165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.035165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.035165 (E_RNA) where: Base-Base interactions energy: -21.117 where: short stacking energy: -21.117 Base-Backbone interact. energy: -0.000 local terms energy: -33.918421 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -3.938 tors. eta vs tors. theta energy: -5.471 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: 3 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -52.410471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.410471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.410471 (E_RNA) where: Base-Base interactions energy: -22.403 where: short stacking energy: -22.095 Base-Backbone interact. energy: -0.004 local terms energy: -30.003692 where: bonds (distance) C4'-P energy: -5.219 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -51.691027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.691027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.691027 (E_RNA) where: Base-Base interactions energy: -21.481 where: short stacking energy: -21.481 Base-Backbone interact. energy: -0.033 local terms energy: -30.177237 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -6.101 flat angles P-C4'-P energy: -3.512 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: 7, replica: 10 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -51.492243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.492243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.492243 (E_RNA) where: Base-Base interactions energy: -19.197 where: short stacking energy: -19.098 Base-Backbone interact. energy: -0.002 local terms energy: -32.292660 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.737 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: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -49.616695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.616695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.616695 (E_RNA) where: Base-Base interactions energy: -25.216 where: short stacking energy: -14.052 Base-Backbone interact. energy: -0.081 local terms energy: -24.319625 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.145 flat angles P-C4'-P energy: -1.696 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -43.407042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.407042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.407042 (E_RNA) where: Base-Base interactions energy: -16.211 where: short stacking energy: -14.498 Base-Backbone interact. energy: -0.014 local terms energy: -27.182201 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -41.960056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.960056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.960056 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.111 local terms energy: -26.043390 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: 0.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -83.506402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.506402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.506402 (E_RNA) where: Base-Base interactions energy: -52.319 where: short stacking energy: -23.103 Base-Backbone interact. energy: -0.559 local terms energy: -30.627982 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.150 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -3.118 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: 2, replica: 8 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -55.132406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.132406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.132406 (E_RNA) where: Base-Base interactions energy: -20.846 where: short stacking energy: -17.268 Base-Backbone interact. energy: -0.795 local terms energy: -33.491217 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -64.046770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.046770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.046770 (E_RNA) where: Base-Base interactions energy: -24.712 where: short stacking energy: -24.712 Base-Backbone interact. energy: -0.001 local terms energy: -39.333494 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -6.267 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: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -56.177820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.177820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.177820 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -23.062 Base-Backbone interact. energy: -0.005 local terms energy: -30.348028 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.756 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -53.938105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.938105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.938105 (E_RNA) where: Base-Base interactions energy: -23.800 where: short stacking energy: -20.924 Base-Backbone interact. energy: -0.100 local terms energy: -30.038289 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -3.053 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: 6, replica: 3 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -54.846277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.846277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.846277 (E_RNA) where: Base-Base interactions energy: -27.216 where: short stacking energy: -20.684 Base-Backbone interact. energy: -0.022 local terms energy: -27.608377 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.313 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -5.267 tors. eta vs tors. theta energy: -1.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -53.144061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.144061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.144061 (E_RNA) where: Base-Base interactions energy: -21.262 where: short stacking energy: -21.262 Base-Backbone interact. energy: -0.002 local terms energy: -31.879923 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.799 flat angles P-C4'-P energy: -4.276 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: 8, replica: 10 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -41.962648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.962648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.962648 (E_RNA) where: Base-Base interactions energy: -18.926 where: short stacking energy: -17.593 Base-Backbone interact. energy: -0.020 local terms energy: -23.016326 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: 0.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -49.329198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.329198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.329198 (E_RNA) where: Base-Base interactions energy: -25.733 where: short stacking energy: -25.426 Base-Backbone interact. energy: -0.100 local terms energy: -23.496564 where: bonds (distance) C4'-P energy: -2.860 bonds (distance) P-C4' energy: -4.252 flat angles C4'-P-C4' energy: -5.582 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: -5.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -44.104779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.104779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.104779 (E_RNA) where: Base-Base interactions energy: -12.848 where: short stacking energy: -12.622 Base-Backbone interact. energy: -0.005 local terms energy: -31.251338 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -5.949 flat angles P-C4'-P energy: -7.256 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: 1, replica: 1 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -83.761052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.761052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.761052 (E_RNA) where: Base-Base interactions energy: -48.230 where: short stacking energy: -25.457 Base-Backbone interact. energy: 0.311 local terms energy: -35.842004 where: bonds (distance) C4'-P energy: -8.458 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -6.309 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: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -65.277220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.277220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.277220 (E_RNA) where: Base-Base interactions energy: -29.517 where: short stacking energy: -29.517 Base-Backbone interact. energy: -0.008 local terms energy: -35.752163 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -4.832 tors. eta vs tors. theta energy: -8.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -58.781325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.781325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.781325 (E_RNA) where: Base-Base interactions energy: -31.267 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.322 local terms energy: -27.191777 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -6.955 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -1.745 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: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -64.297989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.297989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.297989 (E_RNA) where: Base-Base interactions energy: -24.192 where: short stacking energy: -24.192 Base-Backbone interact. energy: -0.000 local terms energy: -40.105981 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -9.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -51.211374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.211374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.211374 (E_RNA) where: Base-Base interactions energy: -18.747 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.035 local terms energy: -32.429393 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -5.094 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: 6, replica: 2 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -51.078636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.078636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.078636 (E_RNA) where: Base-Base interactions energy: -20.301 where: short stacking energy: -20.301 Base-Backbone interact. energy: -0.050 local terms energy: -30.726929 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -1.272 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: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -48.238676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.238676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.238676 (E_RNA) where: Base-Base interactions energy: -16.443 where: short stacking energy: -16.443 Base-Backbone interact. energy: -0.055 local terms energy: -31.740722 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -47.556248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.556248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.556248 (E_RNA) where: Base-Base interactions energy: -21.430 where: short stacking energy: -15.760 Base-Backbone interact. energy: -1.292 local terms energy: -24.833903 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -0.838 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: 9, replica: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -51.697218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.697218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.697218 (E_RNA) where: Base-Base interactions energy: -20.680 where: short stacking energy: -17.210 Base-Backbone interact. energy: -0.017 local terms energy: -31.000318 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -6.236 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: 10, replica: 4 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -43.683940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.683940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.683940 (E_RNA) where: Base-Base interactions energy: -14.544 where: short stacking energy: -14.544 Base-Backbone interact. energy: -0.025 local terms energy: -29.114734 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -2.985 tors. eta vs tors. theta energy: -2.593 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: 1 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -75.885738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.885738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.885738 (E_RNA) where: Base-Base interactions energy: -48.947 where: short stacking energy: -27.341 Base-Backbone interact. energy: -0.009 local terms energy: -26.929478 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -2.639 flat angles P-C4'-P energy: -3.340 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: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -53.772189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.772189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.772189 (E_RNA) where: Base-Base interactions energy: -22.628 where: short stacking energy: -22.628 Base-Backbone interact. energy: -0.014 local terms energy: -31.130664 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.775 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -6.009 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: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -55.154925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.154925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.154925 (E_RNA) where: Base-Base interactions energy: -21.476 where: short stacking energy: -21.476 Base-Backbone interact. energy: -0.098 local terms energy: -33.581333 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.198 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -3.786 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: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -67.991918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.991918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.991918 (E_RNA) where: Base-Base interactions energy: -39.884 where: short stacking energy: -22.707 Base-Backbone interact. energy: -0.074 local terms energy: -28.034491 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -1.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -47.869307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.869307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.869307 (E_RNA) where: Base-Base interactions energy: -19.289 where: short stacking energy: -6.291 Base-Backbone interact. energy: 0.400 local terms energy: -28.980643 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -5.538 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: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -54.402509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.402509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.402509 (E_RNA) where: Base-Base interactions energy: -23.773 where: short stacking energy: -22.052 Base-Backbone interact. energy: -0.015 local terms energy: -30.615027 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -5.158 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: 7, replica: 9 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -47.167283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.167283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.167283 (E_RNA) where: Base-Base interactions energy: -18.916 where: short stacking energy: -18.916 Base-Backbone interact. energy: -0.008 local terms energy: -28.243186 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -39.767752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.767752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.767752 (E_RNA) where: Base-Base interactions energy: -12.433 where: short stacking energy: -9.561 Base-Backbone interact. energy: -1.567 local terms energy: -25.767626 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -4.144 flat angles C4'-P-C4' energy: -7.860 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -1.799 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: 4 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -39.480483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.480483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.480483 (E_RNA) where: Base-Base interactions energy: -15.352 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.067 local terms energy: -24.061565 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: 0.184 tors. eta vs tors. theta energy: -0.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -40.887169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.887169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.887169 (E_RNA) where: Base-Base interactions energy: -13.352 where: short stacking energy: -11.606 Base-Backbone interact. energy: 0.071 local terms energy: -27.606384 where: bonds (distance) C4'-P energy: -5.233 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -69.965371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.965371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.965371 (E_RNA) where: Base-Base interactions energy: -37.635 where: short stacking energy: -19.251 Base-Backbone interact. energy: 0.026 local terms energy: -32.356411 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.849 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -5.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -53.554944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.554944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.554944 (E_RNA) where: Base-Base interactions energy: -17.003 where: short stacking energy: -17.003 Base-Backbone interact. energy: -0.008 local terms energy: -36.543712 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -7.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -57.044184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.044184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.044184 (E_RNA) where: Base-Base interactions energy: -26.984 where: short stacking energy: -23.791 Base-Backbone interact. energy: -0.000 local terms energy: -30.060433 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -4.072 flat angles P-C4'-P energy: -4.045 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: 4, replica: 2 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -51.225278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.225278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.225278 (E_RNA) where: Base-Base interactions energy: -21.293 where: short stacking energy: -21.293 Base-Backbone interact. energy: -0.231 local terms energy: -29.701588 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.026 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -57.450763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.450763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.450763 (E_RNA) where: Base-Base interactions energy: -25.353 where: short stacking energy: -24.349 Base-Backbone interact. energy: -0.096 local terms energy: -32.001320 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.361 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -5.496 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: 6, replica: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -55.137823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.137823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.137823 (E_RNA) where: Base-Base interactions energy: -23.584 where: short stacking energy: -22.914 Base-Backbone interact. energy: -0.001 local terms energy: -31.552537 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -5.572 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -3.736 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: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -49.512248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.512248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.512248 (E_RNA) where: Base-Base interactions energy: -16.733 where: short stacking energy: -16.733 Base-Backbone interact. energy: -0.044 local terms energy: -32.735167 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -50.066839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.066839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.066839 (E_RNA) where: Base-Base interactions energy: -20.824 where: short stacking energy: -20.381 Base-Backbone interact. energy: -0.090 local terms energy: -29.153495 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -4.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -41.647135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647135 (E_RNA) where: Base-Base interactions energy: -14.939 where: short stacking energy: -14.939 Base-Backbone interact. energy: -0.044 local terms energy: -26.664037 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -5.237 tors. eta vs tors. theta energy: 0.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -44.764774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764774 (E_RNA) where: Base-Base interactions energy: -17.780 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.014 local terms energy: -26.970859 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.640 tors. eta vs tors. theta energy: -3.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -70.660844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.660844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.660844 (E_RNA) where: Base-Base interactions energy: -41.965 where: short stacking energy: -26.996 Base-Backbone interact. energy: -0.027 local terms energy: -28.668142 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -5.662 flat angles P-C4'-P energy: -3.914 tors. eta vs tors. theta energy: -3.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -56.344389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.344389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.344389 (E_RNA) where: Base-Base interactions energy: -25.464 where: short stacking energy: -25.464 Base-Backbone interact. energy: -0.000 local terms energy: -30.879971 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -3.784 flat angles P-C4'-P energy: -5.690 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: 3, replica: 2 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -54.047018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.047018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.047018 (E_RNA) where: Base-Base interactions energy: -27.476 where: short stacking energy: -15.206 Base-Backbone interact. energy: -0.381 local terms energy: -26.189972 where: bonds (distance) C4'-P energy: -2.715 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.563 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -56.102902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.102902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.102902 (E_RNA) where: Base-Base interactions energy: -27.496 where: short stacking energy: -23.433 Base-Backbone interact. energy: -0.000 local terms energy: -28.606280 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.107 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -0.481 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: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -51.041712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.041712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.041712 (E_RNA) where: Base-Base interactions energy: -21.399 where: short stacking energy: -19.817 Base-Backbone interact. energy: -0.062 local terms energy: -29.580983 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.247 flat angles P-C4'-P energy: -3.495 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: 6, replica: 8 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -52.044443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.044443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.044443 (E_RNA) where: Base-Base interactions energy: -25.634 where: short stacking energy: -25.634 Base-Backbone interact. energy: -1.055 local terms energy: -25.354978 where: bonds (distance) C4'-P energy: -5.400 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -4.062 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: 4 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -44.435576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.435576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.435576 (E_RNA) where: Base-Base interactions energy: -17.026 where: short stacking energy: -16.451 Base-Backbone interact. energy: -0.204 local terms energy: -27.206003 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.930 flat angles P-C4'-P energy: -1.093 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -45.207665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.207665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.207665 (E_RNA) where: Base-Base interactions energy: -15.032 where: short stacking energy: -14.580 Base-Backbone interact. energy: -0.083 local terms energy: -30.092754 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -50.650939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.650939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.650939 (E_RNA) where: Base-Base interactions energy: -16.509 where: short stacking energy: -16.509 Base-Backbone interact. energy: -0.081 local terms energy: -34.061351 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -2.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -41.996572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.996572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.996572 (E_RNA) where: Base-Base interactions energy: -17.874 where: short stacking energy: -13.782 Base-Backbone interact. energy: -0.075 local terms energy: -24.047521 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: 0.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -70.554656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.554656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.554656 (E_RNA) where: Base-Base interactions energy: -40.556 where: short stacking energy: -23.123 Base-Backbone interact. energy: -0.007 local terms energy: -29.991800 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.650 flat angles P-C4'-P energy: -5.268 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: 2, replica: 2 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -62.111150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.111150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.111150 (E_RNA) where: Base-Base interactions energy: -24.568 where: short stacking energy: -24.420 Base-Backbone interact. energy: -0.001 local terms energy: -37.542145 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -5.931 tors. eta vs tors. theta energy: -7.304 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: 3, replica: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -61.027737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.027737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.027737 (E_RNA) where: Base-Base interactions energy: -28.843 where: short stacking energy: -25.194 Base-Backbone interact. energy: -0.000 local terms energy: -32.184524 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.594 flat angles P-C4'-P energy: -4.341 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: 4, replica: 9 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -57.456396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.456396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.456396 (E_RNA) where: Base-Base interactions energy: -25.446 where: short stacking energy: -25.446 Base-Backbone interact. energy: -0.098 local terms energy: -31.912510 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -5.943 tors. eta vs tors. theta energy: -7.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -56.578239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.578239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.578239 (E_RNA) where: Base-Base interactions energy: -27.267 where: short stacking energy: -20.574 Base-Backbone interact. energy: -0.010 local terms energy: -29.300821 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -7.284 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -55.820935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.820935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.820935 (E_RNA) where: Base-Base interactions energy: -21.184 where: short stacking energy: -21.184 Base-Backbone interact. energy: -0.011 local terms energy: -34.625755 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.066 flat angles P-C4'-P energy: -2.002 tors. eta vs tors. theta energy: -7.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -41.883522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.883522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.883522 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.039 local terms energy: -26.547739 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -4.399 flat angles C4'-P-C4' energy: -6.351 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -47.512112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.512112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.512112 (E_RNA) where: Base-Base interactions energy: -27.175 where: short stacking energy: -11.347 Base-Backbone interact. energy: -0.118 local terms energy: -20.218683 where: bonds (distance) C4'-P energy: -0.678 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -0.901 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: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -48.357110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.357110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.357110 (E_RNA) where: Base-Base interactions energy: -19.590 where: short stacking energy: -19.590 Base-Backbone interact. energy: -0.002 local terms energy: -28.765848 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -5.467 flat angles P-C4'-P energy: -1.228 tors. eta vs tors. theta energy: -4.428 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: 3 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -52.677790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.677790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.677790 (E_RNA) where: Base-Base interactions energy: -20.614 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.086 local terms energy: -31.977705 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -3.366 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: 1, replica: 2 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -71.798423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.798423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.798423 (E_RNA) where: Base-Base interactions energy: -35.425 where: short stacking energy: -24.763 Base-Backbone interact. energy: -0.080 local terms energy: -36.292958 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.304 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: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -66.238333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.238333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.238333 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -24.939 Base-Backbone interact. energy: -0.001 local terms energy: -34.929608 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -73.624508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.624508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.624508 (E_RNA) where: Base-Base interactions energy: -39.819 where: short stacking energy: -21.923 Base-Backbone interact. energy: -0.000 local terms energy: -33.804916 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -2.771 tors. eta vs tors. theta energy: -9.213 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: 230 Temperature: 1.050000 Total energy: -61.617159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.617159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.617159 (E_RNA) where: Base-Base interactions energy: -24.074 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.002 local terms energy: -37.541219 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.347 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -6.525 tors. eta vs tors. theta energy: -9.111 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: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -55.602620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.602620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.602620 (E_RNA) where: Base-Base interactions energy: -25.390 where: short stacking energy: -8.616 Base-Backbone interact. energy: -0.115 local terms energy: -30.097816 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.543 flat angles P-C4'-P energy: -5.639 tors. eta vs tors. theta energy: -4.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -48.769056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.769056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.769056 (E_RNA) where: Base-Base interactions energy: -15.624 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.012 local terms energy: -33.133322 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -49.758748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.758748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.758748 (E_RNA) where: Base-Base interactions energy: -15.563 where: short stacking energy: -15.563 Base-Backbone interact. energy: -0.000 local terms energy: -34.195524 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -5.212 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: 8, replica: 8 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -45.725743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.725743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.725743 (E_RNA) where: Base-Base interactions energy: -18.158 where: short stacking energy: -15.583 Base-Backbone interact. energy: -0.076 local terms energy: -27.492427 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -4.714 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -3.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -44.373149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.373149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.373149 (E_RNA) where: Base-Base interactions energy: -13.263 where: short stacking energy: -13.263 Base-Backbone interact. energy: -0.015 local terms energy: -31.095777 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -2.156 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: 10, replica: 7 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -40.267091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.267091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.267091 (E_RNA) where: Base-Base interactions energy: -17.984 where: short stacking energy: -17.984 Base-Backbone interact. energy: -0.047 local terms energy: -22.235925 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.931 tors. eta vs tors. theta energy: -0.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -58.847208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.847208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.847208 (E_RNA) where: Base-Base interactions energy: -25.069 where: short stacking energy: -24.025 Base-Backbone interact. energy: -0.000 local terms energy: -33.777748 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -57.081728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.081728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.081728 (E_RNA) where: Base-Base interactions energy: -24.819 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.055 local terms energy: -32.207914 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -2.903 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: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -55.185924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.185924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.185924 (E_RNA) where: Base-Base interactions energy: -25.866 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.109 local terms energy: -29.210862 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.364 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -2.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -56.318491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.318491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.318491 (E_RNA) where: Base-Base interactions energy: -26.101 where: short stacking energy: -26.101 Base-Backbone interact. energy: -0.001 local terms energy: -30.215937 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -6.169 flat angles C4'-P-C4' energy: -5.146 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -56.076686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.076686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.076686 (E_RNA) where: Base-Base interactions energy: -22.708 where: short stacking energy: -19.179 Base-Backbone interact. energy: 0.573 local terms energy: -33.941161 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.307 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: 6, replica: 10 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -48.524008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.524008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.524008 (E_RNA) where: Base-Base interactions energy: -17.122 where: short stacking energy: -17.122 Base-Backbone interact. energy: -0.060 local terms energy: -31.341292 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -3.107 tors. eta vs tors. theta energy: -4.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -46.170696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.170696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.170696 (E_RNA) where: Base-Base interactions energy: -19.745 where: short stacking energy: -19.745 Base-Backbone interact. energy: -0.150 local terms energy: -26.276154 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.967 flat angles P-C4'-P energy: -2.754 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: 3 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -42.764429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.764429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.764429 (E_RNA) where: Base-Base interactions energy: -18.441 where: short stacking energy: -18.441 Base-Backbone interact. energy: -0.107 local terms energy: -24.216167 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -1.205 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.876 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: 9, replica: 8 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -43.993580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.993580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.993580 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -15.961 Base-Backbone interact. energy: -0.000 local terms energy: -28.032509 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -3.586 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: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -36.112803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.112803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.112803 (E_RNA) where: Base-Base interactions energy: -9.795 where: short stacking energy: -9.795 Base-Backbone interact. energy: -0.103 local terms energy: -26.214410 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -6.490 flat angles P-C4'-P energy: -1.588 tors. eta vs tors. theta energy: -3.008 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: 232 Temperature: 0.900000 Total energy: -56.059660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.059660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.059660 (E_RNA) where: Base-Base interactions energy: -25.441 where: short stacking energy: -20.044 Base-Backbone interact. energy: 0.581 local terms energy: -31.199285 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -6.062 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: 2, replica: 2 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -69.585935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.585935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.585935 (E_RNA) where: Base-Base interactions energy: -35.733 where: short stacking energy: -35.733 Base-Backbone interact. energy: -0.000 local terms energy: -33.852975 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -9.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -62.136292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.136292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.136292 (E_RNA) where: Base-Base interactions energy: -29.379 where: short stacking energy: -15.760 Base-Backbone interact. energy: -0.267 local terms energy: -32.489902 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -9.197 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -2.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -52.638555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.638555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.638555 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -16.637 Base-Backbone interact. energy: -0.060 local terms energy: -30.174046 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -48.829796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.829796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.829796 (E_RNA) where: Base-Base interactions energy: -20.355 where: short stacking energy: -16.191 Base-Backbone interact. energy: -0.157 local terms energy: -28.317459 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -2.950 tors. eta vs tors. theta energy: -1.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -48.576644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.576644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.576644 (E_RNA) where: Base-Base interactions energy: -19.181 where: short stacking energy: -18.798 Base-Backbone interact. energy: -0.000 local terms energy: -29.395036 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -4.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -49.176206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.176206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.176206 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.000 local terms energy: -30.085901 where: bonds (distance) C4'-P energy: -3.175 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -4.102 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: 8, replica: 5 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -51.894356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.894356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.894356 (E_RNA) where: Base-Base interactions energy: -22.924 where: short stacking energy: -22.924 Base-Backbone interact. energy: 0.946 local terms energy: -29.915958 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.266 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: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -44.933606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.933606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.933606 (E_RNA) where: Base-Base interactions energy: -24.439 where: short stacking energy: -17.086 Base-Backbone interact. energy: -0.045 local terms energy: -20.449800 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -5.103 flat angles C4'-P-C4' energy: -4.291 flat angles P-C4'-P energy: -4.678 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: 8 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -42.913814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.913814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.913814 (E_RNA) where: Base-Base interactions energy: -16.445 where: short stacking energy: -16.445 Base-Backbone interact. energy: -0.686 local terms energy: -25.783136 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -5.999 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -2.094 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: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -61.386357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.386357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.386357 (E_RNA) where: Base-Base interactions energy: -27.507 where: short stacking energy: -27.507 Base-Backbone interact. energy: -0.000 local terms energy: -33.879079 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -3.910 tors. eta vs tors. theta energy: -7.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -58.825249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.825249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.825249 (E_RNA) where: Base-Base interactions energy: -27.542 where: short stacking energy: -27.542 Base-Backbone interact. energy: -0.000 local terms energy: -31.283131 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.117 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -64.902212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.902212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.902212 (E_RNA) where: Base-Base interactions energy: -27.917 where: short stacking energy: -14.610 Base-Backbone interact. energy: -0.103 local terms energy: -36.882750 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -52.851378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.851378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.851378 (E_RNA) where: Base-Base interactions energy: -22.364 where: short stacking energy: -22.364 Base-Backbone interact. energy: -0.012 local terms energy: -30.474866 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -4.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -64.998136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.998136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.998136 (E_RNA) where: Base-Base interactions energy: -34.567 where: short stacking energy: -23.620 Base-Backbone interact. energy: -0.004 local terms energy: -30.427117 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -2.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -52.615916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.615916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.615916 (E_RNA) where: Base-Base interactions energy: -17.280 where: short stacking energy: -15.878 Base-Backbone interact. energy: -0.018 local terms energy: -35.317570 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -4.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -40.415980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415980 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -17.071 Base-Backbone interact. energy: -0.068 local terms energy: -23.276999 where: bonds (distance) C4'-P energy: -3.415 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -0.986 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -44.010463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010463 (E_RNA) where: Base-Base interactions energy: -20.490 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.028 local terms energy: -23.492506 where: bonds (distance) C4'-P energy: -4.491 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.821 flat angles P-C4'-P energy: 0.124 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -40.942301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.942301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.942301 (E_RNA) where: Base-Base interactions energy: -15.117 where: short stacking energy: -6.765 Base-Backbone interact. energy: -0.037 local terms energy: -25.788722 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -44.006264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.006264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.006264 (E_RNA) where: Base-Base interactions energy: -21.140 where: short stacking energy: -12.738 Base-Backbone interact. energy: -0.229 local terms energy: -22.637406 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -6.400 tors. eta vs tors. theta energy: 2.372 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: 234 Temperature: 0.900000 Total energy: -62.529724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.529724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.529724 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -20.730 Base-Backbone interact. energy: -0.493 local terms energy: -35.613421 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.113 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.052 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: 2, replica: 2 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -61.107946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.107946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.107946 (E_RNA) where: Base-Base interactions energy: -27.794 where: short stacking energy: -27.794 Base-Backbone interact. energy: -0.001 local terms energy: -33.313090 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -6.210 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: 3, replica: 10 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -65.023736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.023736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.023736 (E_RNA) where: Base-Base interactions energy: -29.859 where: short stacking energy: -29.859 Base-Backbone interact. energy: -0.000 local terms energy: -35.165179 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -7.253 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: 1 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -61.604682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.604682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.604682 (E_RNA) where: Base-Base interactions energy: -27.247 where: short stacking energy: -26.422 Base-Backbone interact. energy: -0.000 local terms energy: -34.357707 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -3.156 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -50.285409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.285409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.285409 (E_RNA) where: Base-Base interactions energy: -21.336 where: short stacking energy: -20.171 Base-Backbone interact. energy: -0.117 local terms energy: -28.831956 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -4.906 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -49.582414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.582414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.582414 (E_RNA) where: Base-Base interactions energy: -15.611 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.013 local terms energy: -33.957867 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -6.166 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: 7, replica: 7 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -45.790200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.790200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.790200 (E_RNA) where: Base-Base interactions energy: -20.947 where: short stacking energy: -14.448 Base-Backbone interact. energy: -0.100 local terms energy: -24.743114 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -4.456 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: 0.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -43.993351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.993351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.993351 (E_RNA) where: Base-Base interactions energy: -16.644 where: short stacking energy: -16.644 Base-Backbone interact. energy: -0.036 local terms energy: -27.313021 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.082 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: 9, replica: 8 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -39.846739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.846739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.846739 (E_RNA) where: Base-Base interactions energy: -12.944 where: short stacking energy: -7.593 Base-Backbone interact. energy: -0.031 local terms energy: -26.872282 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -5.491 tors. eta vs tors. theta energy: 0.310 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: 5 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -43.499673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.499673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.499673 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -16.132 Base-Backbone interact. energy: -0.001 local terms energy: -27.367143 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -3.025 tors. eta vs tors. theta energy: -4.071 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: 1, replica: 9 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -64.662827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.662827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.662827 (E_RNA) where: Base-Base interactions energy: -33.245 where: short stacking energy: -19.977 Base-Backbone interact. energy: -1.852 local terms energy: -29.565767 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -2.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -56.561894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.561894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.561894 (E_RNA) where: Base-Base interactions energy: -21.549 where: short stacking energy: -21.549 Base-Backbone interact. energy: -0.053 local terms energy: -34.959884 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.693 flat angles P-C4'-P energy: -6.736 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: 3, replica: 2 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -59.490150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.490150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.490150 (E_RNA) where: Base-Base interactions energy: -26.012 where: short stacking energy: -26.012 Base-Backbone interact. energy: -0.000 local terms energy: -33.478534 where: bonds (distance) C4'-P energy: -3.975 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -5.160 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: 4, replica: 3 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -58.400954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.400954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.400954 (E_RNA) where: Base-Base interactions energy: -27.543 where: short stacking energy: -19.110 Base-Backbone interact. energy: -0.127 local terms energy: -30.731120 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.751 flat angles P-C4'-P energy: -5.367 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: 5, replica: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -52.199944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.199944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.199944 (E_RNA) where: Base-Base interactions energy: -23.681 where: short stacking energy: -23.037 Base-Backbone interact. energy: -0.074 local terms energy: -28.444604 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -7.664 flat angles P-C4'-P energy: -2.921 tors. eta vs tors. theta energy: -3.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -49.089294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.089294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.089294 (E_RNA) where: Base-Base interactions energy: -27.336 where: short stacking energy: -24.829 Base-Backbone interact. energy: -0.089 local terms energy: -21.663567 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -3.716 flat angles C4'-P-C4' energy: -4.556 flat angles P-C4'-P energy: -2.772 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: 7, replica: 4 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -43.713588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.713588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.713588 (E_RNA) where: Base-Base interactions energy: -12.321 where: short stacking energy: -11.090 Base-Backbone interact. energy: -0.002 local terms energy: -31.390304 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -51.955197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.955197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.955197 (E_RNA) where: Base-Base interactions energy: -18.183 where: short stacking energy: -18.183 Base-Backbone interact. energy: -0.018 local terms energy: -33.754363 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -5.993 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -6.296 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: 6 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -44.082721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.082721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.082721 (E_RNA) where: Base-Base interactions energy: -14.317 where: short stacking energy: -14.317 Base-Backbone interact. energy: -0.049 local terms energy: -29.717362 where: bonds (distance) C4'-P energy: -2.669 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -6.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -40.748635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.748635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.748635 (E_RNA) where: Base-Base interactions energy: -13.902 where: short stacking energy: -13.902 Base-Backbone interact. energy: -0.007 local terms energy: -26.839669 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -4.123 flat angles P-C4'-P energy: -4.758 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: 9 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -73.180429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.180429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.180429 (E_RNA) where: Base-Base interactions energy: -40.777 where: short stacking energy: -23.772 Base-Backbone interact. energy: -0.127 local terms energy: -32.276926 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -5.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -59.465984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.465984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.465984 (E_RNA) where: Base-Base interactions energy: -28.547 where: short stacking energy: -22.153 Base-Backbone interact. energy: -0.006 local terms energy: -30.913446 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -2.764 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: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -57.658419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.658419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.658419 (E_RNA) where: Base-Base interactions energy: -23.122 where: short stacking energy: -23.122 Base-Backbone interact. energy: -0.005 local terms energy: -34.531864 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -6.252 tors. eta vs tors. theta energy: -3.254 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: 2 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -54.806261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.806261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.806261 (E_RNA) where: Base-Base interactions energy: -25.136 where: short stacking energy: -25.136 Base-Backbone interact. energy: -0.000 local terms energy: -29.670461 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -5.269 flat angles P-C4'-P energy: -2.613 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: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -50.953654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.953654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.953654 (E_RNA) where: Base-Base interactions energy: -21.241 where: short stacking energy: -21.241 Base-Backbone interact. energy: -0.001 local terms energy: -29.711648 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -5.305 tors. eta vs tors. theta energy: -2.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -44.679887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.679887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.679887 (E_RNA) where: Base-Base interactions energy: -18.647 where: short stacking energy: -17.736 Base-Backbone interact. energy: 1.693 local terms energy: -27.725980 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -4.448 flat angles P-C4'-P energy: -5.236 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: 7, replica: 8 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -50.139884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.139884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.139884 (E_RNA) where: Base-Base interactions energy: -21.117 where: short stacking energy: -21.117 Base-Backbone interact. energy: -0.061 local terms energy: -28.962031 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.914 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -2.233 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: 8, replica: 4 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -45.532445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.532445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.532445 (E_RNA) where: Base-Base interactions energy: -16.526 where: short stacking energy: -16.526 Base-Backbone interact. energy: -0.091 local terms energy: -28.915262 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -39.208575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.208575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.208575 (E_RNA) where: Base-Base interactions energy: -8.873 where: short stacking energy: -8.873 Base-Backbone interact. energy: -0.075 local terms energy: -30.261155 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -0.663 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: 6 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -44.820641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.820641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.820641 (E_RNA) where: Base-Base interactions energy: -14.241 where: short stacking energy: -14.266 Base-Backbone interact. energy: -0.841 local terms energy: -29.737752 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -5.466 flat angles C4'-P-C4' energy: -7.745 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -3.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -78.419713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.419713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.419713 (E_RNA) where: Base-Base interactions energy: -44.853 where: short stacking energy: -25.165 Base-Backbone interact. energy: 0.377 local terms energy: -33.943545 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -58.050839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.050839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.050839 (E_RNA) where: Base-Base interactions energy: -25.116 where: short stacking energy: -23.569 Base-Backbone interact. energy: -0.050 local terms energy: -32.885370 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -2.827 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: 3, replica: 10 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -66.597268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.597268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.597268 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -29.116 Base-Backbone interact. energy: -0.000 local terms energy: -37.481566 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -6.709 tors. eta vs tors. theta energy: -6.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -47.643511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.643511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.643511 (E_RNA) where: Base-Base interactions energy: -15.910 where: short stacking energy: -15.910 Base-Backbone interact. energy: -0.028 local terms energy: -31.705724 where: bonds (distance) C4'-P energy: -4.946 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -2.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -61.255862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.255862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.255862 (E_RNA) where: Base-Base interactions energy: -26.285 where: short stacking energy: -26.285 Base-Backbone interact. energy: -0.000 local terms energy: -34.970664 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -7.910 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: 237 Temperature: 1.150000 Total energy: -55.548990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.548990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.548990 (E_RNA) where: Base-Base interactions energy: -24.403 where: short stacking energy: -22.483 Base-Backbone interact. energy: -0.032 local terms energy: -31.113839 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.845 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -45.892349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.892349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.892349 (E_RNA) where: Base-Base interactions energy: -22.180 where: short stacking energy: -22.180 Base-Backbone interact. energy: -0.002 local terms energy: -23.710739 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -5.206 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -1.616 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: 8, replica: 4 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -45.198108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.198108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.198108 (E_RNA) where: Base-Base interactions energy: -18.552 where: short stacking energy: -18.552 Base-Backbone interact. energy: -0.099 local terms energy: -26.546825 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -3.171 tors. eta vs tors. theta energy: -2.265 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: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -44.580508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.580508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.580508 (E_RNA) where: Base-Base interactions energy: -17.091 where: short stacking energy: -17.091 Base-Backbone interact. energy: -0.006 local terms energy: -27.484083 where: bonds (distance) C4'-P energy: -4.218 bonds (distance) P-C4' energy: -5.539 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -5.758 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: 10, replica: 6 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -47.366897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.366897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.366897 (E_RNA) where: Base-Base interactions energy: -20.955 where: short stacking energy: -13.272 Base-Backbone interact. energy: -0.037 local terms energy: -26.374817 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -3.650 flat angles P-C4'-P energy: -3.539 tors. eta vs tors. theta energy: -3.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -67.305104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.305104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.305104 (E_RNA) where: Base-Base interactions energy: -29.853 where: short stacking energy: -27.606 Base-Backbone interact. energy: -0.000 local terms energy: -37.452311 where: bonds (distance) C4'-P energy: -6.871 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -6.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -71.257967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.257967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.257967 (E_RNA) where: Base-Base interactions energy: -33.877 where: short stacking energy: -21.154 Base-Backbone interact. energy: -0.302 local terms energy: -37.078878 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.982 flat angles P-C4'-P energy: -7.233 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: 3, replica: 7 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -62.363901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.363901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.363901 (E_RNA) where: Base-Base interactions energy: -28.871 where: short stacking energy: -22.646 Base-Backbone interact. energy: -0.001 local terms energy: -33.491769 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -5.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -66.867481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.867481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.867481 (E_RNA) where: Base-Base interactions energy: -33.533 where: short stacking energy: -24.541 Base-Backbone interact. energy: 1.074 local terms energy: -34.407632 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -9.395 flat angles P-C4'-P energy: -7.052 tors. eta vs tors. theta energy: -5.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -60.047403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.047403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.047403 (E_RNA) where: Base-Base interactions energy: -23.477 where: short stacking energy: -23.477 Base-Backbone interact. energy: -0.001 local terms energy: -36.568719 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -6.189 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: 6, replica: 2 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -50.065509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.065509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.065509 (E_RNA) where: Base-Base interactions energy: -23.632 where: short stacking energy: -23.632 Base-Backbone interact. energy: -0.106 local terms energy: -26.327493 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -3.406 tors. eta vs tors. theta energy: -3.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -45.144415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.144415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.144415 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -13.942 Base-Backbone interact. energy: -0.087 local terms energy: -26.347315 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -1.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -48.211795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.211795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.211795 (E_RNA) where: Base-Base interactions energy: -20.894 where: short stacking energy: -20.894 Base-Backbone interact. energy: -0.017 local terms energy: -27.300402 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -3.876 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -3.783 tors. eta vs tors. theta energy: -3.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -45.640210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.640210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.640210 (E_RNA) where: Base-Base interactions energy: -15.657 where: short stacking energy: -15.657 Base-Backbone interact. energy: -0.307 local terms energy: -29.676395 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.839 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: 1.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -34.815486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.815486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.815486 (E_RNA) where: Base-Base interactions energy: -9.342 where: short stacking energy: -9.342 Base-Backbone interact. energy: -0.202 local terms energy: -25.271502 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: 0.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -65.173858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.173858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.173858 (E_RNA) where: Base-Base interactions energy: -29.814 where: short stacking energy: -23.480 Base-Backbone interact. energy: 0.255 local terms energy: -35.614744 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.837 flat angles P-C4'-P energy: -5.405 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: 2, replica: 7 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -70.875185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.875185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.875185 (E_RNA) where: Base-Base interactions energy: -30.307 where: short stacking energy: -30.307 Base-Backbone interact. energy: -0.000 local terms energy: -40.568525 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -6.867 tors. eta vs tors. theta energy: -10.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -64.333338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.333338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.333338 (E_RNA) where: Base-Base interactions energy: -26.742 where: short stacking energy: -26.742 Base-Backbone interact. energy: -0.000 local terms energy: -37.591320 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -8.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -61.070238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.070238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.070238 (E_RNA) where: Base-Base interactions energy: -26.117 where: short stacking energy: -19.173 Base-Backbone interact. energy: -0.805 local terms energy: -34.148104 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -6.005 tors. eta vs tors. theta energy: -4.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -64.879378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.879378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.879378 (E_RNA) where: Base-Base interactions energy: -32.455 where: short stacking energy: -23.320 Base-Backbone interact. energy: -0.000 local terms energy: -32.424399 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -6.726 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: 6, replica: 4 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -42.933807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.933807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.933807 (E_RNA) where: Base-Base interactions energy: -17.912 where: short stacking energy: -11.033 Base-Backbone interact. energy: -0.140 local terms energy: -24.881893 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: 0.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -60.579164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.579164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.579164 (E_RNA) where: Base-Base interactions energy: -28.073 where: short stacking energy: -15.526 Base-Backbone interact. energy: -0.075 local terms energy: -32.430466 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -6.087 tors. eta vs tors. theta energy: -2.698 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: 239 Temperature: 1.250000 Total energy: -42.740117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.740117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.740117 (E_RNA) where: Base-Base interactions energy: -18.044 where: short stacking energy: -15.146 Base-Backbone interact. energy: -0.009 local terms energy: -24.687330 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -1.416 tors. eta vs tors. theta energy: -0.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -45.634688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.634688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.634688 (E_RNA) where: Base-Base interactions energy: -15.794 where: short stacking energy: -13.010 Base-Backbone interact. energy: 0.151 local terms energy: -29.991570 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.117 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -2.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -42.414611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414611 (E_RNA) where: Base-Base interactions energy: -20.877 where: short stacking energy: -20.877 Base-Backbone interact. energy: 0.055 local terms energy: -21.592098 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -72.558852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.558852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.558852 (E_RNA) where: Base-Base interactions energy: -39.486 where: short stacking energy: -19.664 Base-Backbone interact. energy: -0.404 local terms energy: -32.668754 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -4.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -59.015945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.015945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.015945 (E_RNA) where: Base-Base interactions energy: -24.842 where: short stacking energy: -24.842 Base-Backbone interact. energy: -0.000 local terms energy: -34.173730 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -2.975 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: 3, replica: 8 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -61.455891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.455891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.455891 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -23.827 Base-Backbone interact. energy: -0.000 local terms energy: -37.628862 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -5.263 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: 4, replica: 9 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -52.889218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.889218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.889218 (E_RNA) where: Base-Base interactions energy: -19.015 where: short stacking energy: -16.786 Base-Backbone interact. energy: -0.074 local terms energy: -33.800817 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.922 flat angles P-C4'-P energy: -7.169 tors. eta vs tors. theta energy: -3.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -52.876654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.876654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.876654 (E_RNA) where: Base-Base interactions energy: -19.369 where: short stacking energy: -19.369 Base-Backbone interact. energy: -0.047 local terms energy: -33.460482 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -4.783 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: 4 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -59.497645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.497645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.497645 (E_RNA) where: Base-Base interactions energy: -25.578 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.000 local terms energy: -33.919648 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.055 flat angles P-C4'-P energy: -4.296 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: 7, replica: 2 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -45.082207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.082207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.082207 (E_RNA) where: Base-Base interactions energy: -14.923 where: short stacking energy: -12.529 Base-Backbone interact. energy: -0.069 local terms energy: -30.090603 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -3.868 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: 8, replica: 6 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -43.188421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.188421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.188421 (E_RNA) where: Base-Base interactions energy: -12.773 where: short stacking energy: -12.773 Base-Backbone interact. energy: -0.012 local terms energy: -30.403776 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -4.219 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: 9, replica: 5 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -42.748324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.748324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.748324 (E_RNA) where: Base-Base interactions energy: -15.987 where: short stacking energy: -14.386 Base-Backbone interact. energy: -0.001 local terms energy: -26.759852 where: bonds (distance) C4'-P energy: -6.459 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: -3.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -47.048355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.048355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.048355 (E_RNA) where: Base-Base interactions energy: -20.309 where: short stacking energy: -20.309 Base-Backbone interact. energy: -0.425 local terms energy: -26.314478 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: 0.889 tors. eta vs tors. theta energy: -2.983 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: 3 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -83.052881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.052881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.052881 (E_RNA) where: Base-Base interactions energy: -44.106 where: short stacking energy: -29.652 Base-Backbone interact. energy: -2.241 local terms energy: -36.706124 where: bonds (distance) C4'-P energy: -4.444 bonds (distance) P-C4' energy: -8.890 flat angles C4'-P-C4' energy: -7.435 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -9.540 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: 8 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -56.106195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.106195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.106195 (E_RNA) where: Base-Base interactions energy: -25.002 where: short stacking energy: -24.566 Base-Backbone interact. energy: -0.000 local terms energy: -31.103814 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -5.170 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: 7 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -59.577876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.577876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.577876 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -22.620 Base-Backbone interact. energy: -0.000 local terms energy: -36.957576 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -6.492 tors. eta vs tors. theta energy: -6.373 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: 241 Temperature: 1.050000 Total energy: -51.221861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.221861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.221861 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.642 Base-Backbone interact. energy: -0.177 local terms energy: -32.403529 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.741 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -1.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -55.989075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.989075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.989075 (E_RNA) where: Base-Base interactions energy: -22.077 where: short stacking energy: -22.077 Base-Backbone interact. energy: -0.014 local terms energy: -33.898123 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -5.315 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: 6, replica: 2 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -57.235272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.235272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.235272 (E_RNA) where: Base-Base interactions energy: -23.515 where: short stacking energy: -22.332 Base-Backbone interact. energy: -0.004 local terms energy: -33.716087 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -4.767 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: 7, replica: 4 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -52.224111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.224111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.224111 (E_RNA) where: Base-Base interactions energy: -22.782 where: short stacking energy: -22.782 Base-Backbone interact. energy: -0.003 local terms energy: -29.438447 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -3.043 flat angles P-C4'-P energy: -5.987 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: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -45.282630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.282630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.282630 (E_RNA) where: Base-Base interactions energy: -17.034 where: short stacking energy: -17.034 Base-Backbone interact. energy: -0.009 local terms energy: -28.238845 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -2.309 tors. eta vs tors. theta energy: -3.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -46.712565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.712565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.712565 (E_RNA) where: Base-Base interactions energy: -20.119 where: short stacking energy: -20.119 Base-Backbone interact. energy: -0.060 local terms energy: -26.534046 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -0.828 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -43.367752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.367752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.367752 (E_RNA) where: Base-Base interactions energy: -19.732 where: short stacking energy: -19.732 Base-Backbone interact. energy: -0.001 local terms energy: -23.635535 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -5.723 flat angles C4'-P-C4' energy: -3.019 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -3.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -67.652897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.652897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.652897 (E_RNA) where: Base-Base interactions energy: -35.559 where: short stacking energy: -23.380 Base-Backbone interact. energy: -0.001 local terms energy: -32.092883 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -71.534726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.534726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.534726 (E_RNA) where: Base-Base interactions energy: -39.233 where: short stacking energy: -20.732 Base-Backbone interact. energy: 0.121 local terms energy: -32.422817 where: bonds (distance) C4'-P energy: -6.064 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.341 flat angles P-C4'-P energy: -4.387 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -58.804818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.804818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.804818 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.082 local terms energy: -32.937793 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -7.846 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -1.667 tors. eta vs tors. theta energy: -8.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -44.959761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.959761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.959761 (E_RNA) where: Base-Base interactions energy: -15.318 where: short stacking energy: -15.318 Base-Backbone interact. energy: -0.009 local terms energy: -29.632674 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -2.459 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -49.913599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.913599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.913599 (E_RNA) where: Base-Base interactions energy: -17.691 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.112 local terms energy: -32.110268 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.813 flat angles P-C4'-P energy: -6.233 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: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -51.110595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.110595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.110595 (E_RNA) where: Base-Base interactions energy: -20.809 where: short stacking energy: -20.809 Base-Backbone interact. energy: -0.017 local terms energy: -30.284217 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -6.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -48.381279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.381279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.381279 (E_RNA) where: Base-Base interactions energy: -21.496 where: short stacking energy: -21.496 Base-Backbone interact. energy: -0.101 local terms energy: -26.784593 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -3.786 flat angles P-C4'-P energy: -2.091 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: 8, replica: 5 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -43.094300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.094300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.094300 (E_RNA) where: Base-Base interactions energy: -17.061 where: short stacking energy: -16.881 Base-Backbone interact. energy: -0.114 local terms energy: -25.919078 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -2.470 tors. eta vs tors. theta energy: -4.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -46.897116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.897116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.897116 (E_RNA) where: Base-Base interactions energy: -16.929 where: short stacking energy: -16.929 Base-Backbone interact. energy: -0.124 local terms energy: -29.844471 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -1.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -39.177827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.177827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.177827 (E_RNA) where: Base-Base interactions energy: -12.399 where: short stacking energy: -12.399 Base-Backbone interact. energy: -0.020 local terms energy: -26.758587 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -6.578 tors. eta vs tors. theta energy: 0.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -71.122030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.122030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.122030 (E_RNA) where: Base-Base interactions energy: -34.478 where: short stacking energy: -24.901 Base-Backbone interact. energy: -0.140 local terms energy: -36.503684 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.738 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -6.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -62.952291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.952291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.952291 (E_RNA) where: Base-Base interactions energy: -27.252 where: short stacking energy: -27.252 Base-Backbone interact. energy: -0.000 local terms energy: -35.700311 where: bonds (distance) C4'-P energy: -6.301 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -3.612 tors. eta vs tors. theta energy: -9.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -61.460338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.460338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.460338 (E_RNA) where: Base-Base interactions energy: -30.486 where: short stacking energy: -22.580 Base-Backbone interact. energy: -0.219 local terms energy: -30.755729 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -2.071 tors. eta vs tors. theta energy: -4.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -55.428946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.428946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.428946 (E_RNA) where: Base-Base interactions energy: -25.799 where: short stacking energy: -12.356 Base-Backbone interact. energy: -0.014 local terms energy: -29.616722 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -3.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -51.739778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.739778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.739778 (E_RNA) where: Base-Base interactions energy: -23.906 where: short stacking energy: -17.385 Base-Backbone interact. energy: -0.035 local terms energy: -27.799631 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -51.683104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.683104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.683104 (E_RNA) where: Base-Base interactions energy: -21.155 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.001 local terms energy: -30.526800 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -4.478 flat angles P-C4'-P energy: -4.288 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: 7, replica: 10 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -49.569697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.569697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.569697 (E_RNA) where: Base-Base interactions energy: -18.059 where: short stacking energy: -18.059 Base-Backbone interact. energy: -0.000 local terms energy: -31.510995 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -5.240 flat angles C4'-P-C4' energy: -4.655 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -8.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -48.876264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.876264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.876264 (E_RNA) where: Base-Base interactions energy: -19.322 where: short stacking energy: -19.322 Base-Backbone interact. energy: -0.000 local terms energy: -29.554627 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -5.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -45.919423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.919423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.919423 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -14.465 Base-Backbone interact. energy: -0.001 local terms energy: -31.453801 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -3.493 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: 10, replica: 6 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -42.446376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446376 (E_RNA) where: Base-Base interactions energy: -14.613 where: short stacking energy: -14.613 Base-Backbone interact. energy: -0.000 local terms energy: -27.833306 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -5.102 flat angles P-C4'-P energy: -3.630 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: 1, replica: 8 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -72.618006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.618006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.618006 (E_RNA) where: Base-Base interactions energy: -36.163 where: short stacking energy: -22.531 Base-Backbone interact. energy: -0.019 local terms energy: -36.436161 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -5.483 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: 2, replica: 7 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -63.114850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.114850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.114850 (E_RNA) where: Base-Base interactions energy: -26.901 where: short stacking energy: -26.901 Base-Backbone interact. energy: -0.004 local terms energy: -36.210473 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -5.163 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: 3, replica: 2 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -72.828344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.828344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.828344 (E_RNA) where: Base-Base interactions energy: -37.564 where: short stacking energy: -28.099 Base-Backbone interact. energy: -0.026 local terms energy: -35.237764 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.626 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: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -48.458685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.458685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.458685 (E_RNA) where: Base-Base interactions energy: -14.626 where: short stacking energy: -14.626 Base-Backbone interact. energy: -0.003 local terms energy: -33.830568 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -55.844468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.844468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.844468 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.012 local terms energy: -28.808513 where: bonds (distance) C4'-P energy: -4.008 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -4.460 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: 6, replica: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -44.584687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.584687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.584687 (E_RNA) where: Base-Base interactions energy: -22.470 where: short stacking energy: -18.517 Base-Backbone interact. energy: -0.040 local terms energy: -22.074664 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -3.023 flat angles P-C4'-P energy: -0.965 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -52.919028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.919028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.919028 (E_RNA) where: Base-Base interactions energy: -29.768 where: short stacking energy: -22.075 Base-Backbone interact. energy: -0.027 local terms energy: -23.123968 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -3.489 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -1.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -39.975932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.975932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.975932 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -15.124 Base-Backbone interact. energy: -0.018 local terms energy: -24.834330 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -4.180 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -7.226 tors. eta vs tors. theta energy: -0.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -52.120180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.120180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.120180 (E_RNA) where: Base-Base interactions energy: -21.475 where: short stacking energy: -18.675 Base-Backbone interact. energy: -0.144 local terms energy: -30.500625 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -5.474 tors. eta vs tors. theta energy: -5.145 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: 5 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -41.959614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.959614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.959614 (E_RNA) where: Base-Base interactions energy: -17.415 where: short stacking energy: -17.415 Base-Backbone interact. energy: -0.003 local terms energy: -24.541780 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -4.812 flat angles P-C4'-P energy: -1.651 tors. eta vs tors. theta energy: -2.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -65.879285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.879285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.879285 (E_RNA) where: Base-Base interactions energy: -38.271 where: short stacking energy: -22.005 Base-Backbone interact. energy: -0.008 local terms energy: -27.600012 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -2.147 tors. eta vs tors. theta energy: -4.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -63.837120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.837120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.837120 (E_RNA) where: Base-Base interactions energy: -26.641 where: short stacking energy: -22.870 Base-Backbone interact. energy: -0.094 local terms energy: -37.102132 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.461 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -7.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -55.542889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.542889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.542889 (E_RNA) where: Base-Base interactions energy: -21.967 where: short stacking energy: -21.967 Base-Backbone interact. energy: -0.004 local terms energy: -33.571994 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -5.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -52.664096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.664096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.664096 (E_RNA) where: Base-Base interactions energy: -18.836 where: short stacking energy: -18.836 Base-Backbone interact. energy: -0.000 local terms energy: -33.828150 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.112 flat angles P-C4'-P energy: -3.074 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: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -58.767784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.767784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.767784 (E_RNA) where: Base-Base interactions energy: -31.917 where: short stacking energy: -21.274 Base-Backbone interact. energy: -0.049 local terms energy: -26.801147 where: bonds (distance) C4'-P energy: -1.866 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -5.939 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: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -47.864626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.864626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.864626 (E_RNA) where: Base-Base interactions energy: -20.555 where: short stacking energy: -16.623 Base-Backbone interact. energy: -0.095 local terms energy: -27.214220 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -4.729 flat angles P-C4'-P energy: -3.926 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: 7, replica: 9 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -44.756651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.756651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.756651 (E_RNA) where: Base-Base interactions energy: -13.461 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.038 local terms energy: -31.258084 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -4.442 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: 10 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -44.651977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.651977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.651977 (E_RNA) where: Base-Base interactions energy: -15.463 where: short stacking energy: -14.238 Base-Backbone interact. energy: -0.103 local terms energy: -29.086437 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -4.078 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: 9, replica: 6 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -44.111950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.111950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.111950 (E_RNA) where: Base-Base interactions energy: -21.910 where: short stacking energy: -12.123 Base-Backbone interact. energy: 0.729 local terms energy: -22.931102 where: bonds (distance) C4'-P energy: -4.629 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -5.013 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: 10, replica: 5 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -43.237025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.237025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.237025 (E_RNA) where: Base-Base interactions energy: -11.910 where: short stacking energy: -11.910 Base-Backbone interact. energy: -0.034 local terms energy: -31.292936 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -68.408744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.408744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.408744 (E_RNA) where: Base-Base interactions energy: -29.576 where: short stacking energy: -29.576 Base-Backbone interact. energy: -0.000 local terms energy: -38.832622 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -5.295 tors. eta vs tors. theta energy: -9.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -69.419956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.419956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.419956 (E_RNA) where: Base-Base interactions energy: -32.720 where: short stacking energy: -27.388 Base-Backbone interact. energy: -0.000 local terms energy: -36.699474 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.612 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: -6.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -56.888271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.888271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.888271 (E_RNA) where: Base-Base interactions energy: -26.123 where: short stacking energy: -16.257 Base-Backbone interact. energy: -1.517 local terms energy: -29.248440 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -61.484073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.484073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.484073 (E_RNA) where: Base-Base interactions energy: -26.830 where: short stacking energy: -26.830 Base-Backbone interact. energy: -0.000 local terms energy: -34.653851 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.945 flat angles P-C4'-P energy: -4.284 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: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -52.723917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.723917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.723917 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -22.228 Base-Backbone interact. energy: -0.106 local terms energy: -30.389465 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -4.457 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -4.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -52.083090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.083090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.083090 (E_RNA) where: Base-Base interactions energy: -19.355 where: short stacking energy: -19.355 Base-Backbone interact. energy: -0.001 local terms energy: -32.727180 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.815 flat angles P-C4'-P energy: -4.149 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: 7, replica: 9 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -45.465141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.465141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.465141 (E_RNA) where: Base-Base interactions energy: -16.411 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.007 local terms energy: -29.047300 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.003 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -1.335 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: 10 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -44.628479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.628479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.628479 (E_RNA) where: Base-Base interactions energy: -20.177 where: short stacking energy: -10.102 Base-Backbone interact. energy: -0.102 local terms energy: -24.349445 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -2.786 tors. eta vs tors. theta energy: -1.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -38.459306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.459306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.459306 (E_RNA) where: Base-Base interactions energy: -10.991 where: short stacking energy: -11.291 Base-Backbone interact. energy: -0.129 local terms energy: -27.339147 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: 0.421 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: 246 Temperature: 1.350000 Total energy: -39.193295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.193295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.193295 (E_RNA) where: Base-Base interactions energy: -10.070 where: short stacking energy: -10.070 Base-Backbone interact. energy: -0.102 local terms energy: -29.021050 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -5.798 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: 1, replica: 8 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -64.750885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.750885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.750885 (E_RNA) where: Base-Base interactions energy: -27.843 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.000 local terms energy: -36.907331 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -7.197 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: 2, replica: 4 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -82.540938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.540938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.540938 (E_RNA) where: Base-Base interactions energy: -43.764 where: short stacking energy: -27.049 Base-Backbone interact. energy: -0.005 local terms energy: -38.772020 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.992 flat angles P-C4'-P energy: -7.114 tors. eta vs tors. theta energy: -6.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -60.006754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.006754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.006754 (E_RNA) where: Base-Base interactions energy: -31.416 where: short stacking energy: -18.083 Base-Backbone interact. energy: -0.562 local terms energy: -28.028865 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.471 flat angles P-C4'-P energy: -2.696 tors. eta vs tors. theta energy: -2.629 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: 247 Temperature: 1.050000 Total energy: -58.762936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.762936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.762936 (E_RNA) where: Base-Base interactions energy: -26.638 where: short stacking energy: -23.401 Base-Backbone interact. energy: -1.032 local terms energy: -31.092953 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -2.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -42.823685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.823685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.823685 (E_RNA) where: Base-Base interactions energy: -18.228 where: short stacking energy: -17.332 Base-Backbone interact. energy: -0.112 local terms energy: -24.483391 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.780 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: 1.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -53.212484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.212484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.212484 (E_RNA) where: Base-Base interactions energy: -20.668 where: short stacking energy: -18.892 Base-Backbone interact. energy: -0.070 local terms energy: -32.474689 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -4.599 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: 247 Temperature: 1.200000 Total energy: -47.600902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.600902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.600902 (E_RNA) where: Base-Base interactions energy: -15.225 where: short stacking energy: -15.225 Base-Backbone interact. energy: -0.249 local terms energy: -32.127185 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -6.889 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: 8, replica: 5 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -50.882302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.882302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.882302 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.035 local terms energy: -30.614559 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -5.028 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: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -36.549763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.549763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.549763 (E_RNA) where: Base-Base interactions energy: -16.142 where: short stacking energy: -16.142 Base-Backbone interact. energy: -0.030 local terms energy: -20.376852 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -3.740 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -2.371 tors. eta vs tors. theta energy: -1.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -44.313632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.313632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.313632 (E_RNA) where: Base-Base interactions energy: -21.623 where: short stacking energy: -12.454 Base-Backbone interact. energy: -0.230 local terms energy: -22.460501 where: bonds (distance) C4'-P energy: -3.804 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -6.194 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: 4 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -83.316716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.316716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.316716 (E_RNA) where: Base-Base interactions energy: -47.081 where: short stacking energy: -29.088 Base-Backbone interact. energy: 0.171 local terms energy: -36.406369 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -5.623 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -60.003866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.003866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.003866 (E_RNA) where: Base-Base interactions energy: -24.880 where: short stacking energy: -24.880 Base-Backbone interact. energy: -0.040 local terms energy: -35.083608 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -2.669 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: 3, replica: 1 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -67.947783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.947783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.947783 (E_RNA) where: Base-Base interactions energy: -32.419 where: short stacking energy: -32.419 Base-Backbone interact. energy: -0.000 local terms energy: -35.528826 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -4.747 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: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -61.330715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.330715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.330715 (E_RNA) where: Base-Base interactions energy: -28.016 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.000 local terms energy: -33.314883 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -3.668 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: 5, replica: 9 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -59.805267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.805267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.805267 (E_RNA) where: Base-Base interactions energy: -31.450 where: short stacking energy: -20.698 Base-Backbone interact. energy: -0.019 local terms energy: -28.336762 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.731 flat angles P-C4'-P energy: -2.153 tors. eta vs tors. theta energy: -2.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -55.664461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.664461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.664461 (E_RNA) where: Base-Base interactions energy: -21.774 where: short stacking energy: -21.258 Base-Backbone interact. energy: -0.000 local terms energy: -33.889995 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -2.045 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: 7, replica: 5 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -44.885233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.885233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.885233 (E_RNA) where: Base-Base interactions energy: -15.653 where: short stacking energy: -15.653 Base-Backbone interact. energy: -0.000 local terms energy: -29.232099 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -4.480 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -49.327794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.327794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.327794 (E_RNA) where: Base-Base interactions energy: -27.031 where: short stacking energy: -14.994 Base-Backbone interact. energy: -0.062 local terms energy: -22.234322 where: bonds (distance) C4'-P energy: -1.494 bonds (distance) P-C4' energy: -7.845 flat angles C4'-P-C4' energy: -7.238 flat angles P-C4'-P energy: -2.899 tors. eta vs tors. theta energy: -2.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -48.681776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.681776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.681776 (E_RNA) where: Base-Base interactions energy: -20.489 where: short stacking energy: -20.489 Base-Backbone interact. energy: -0.003 local terms energy: -28.189238 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -4.287 tors. eta vs tors. theta energy: -4.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -42.795217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.795217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.795217 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -15.605 Base-Backbone interact. energy: -0.011 local terms energy: -27.060275 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -81.033675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.033675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.033675 (E_RNA) where: Base-Base interactions energy: -44.547 where: short stacking energy: -23.402 Base-Backbone interact. energy: -0.006 local terms energy: -36.480504 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -6.423 tors. eta vs tors. theta energy: -5.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -64.601190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.601190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.601190 (E_RNA) where: Base-Base interactions energy: -30.555 where: short stacking energy: -18.990 Base-Backbone interact. energy: -0.542 local terms energy: -33.504238 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -5.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -60.557207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.557207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.557207 (E_RNA) where: Base-Base interactions energy: -24.389 where: short stacking energy: -24.389 Base-Backbone interact. energy: -0.000 local terms energy: -36.168091 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -4.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -51.788951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.788951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.788951 (E_RNA) where: Base-Base interactions energy: -21.187 where: short stacking energy: -20.456 Base-Backbone interact. energy: -0.014 local terms energy: -30.587680 where: bonds (distance) C4'-P energy: -5.514 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.593 flat angles P-C4'-P energy: -5.464 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: 5, replica: 9 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -53.161049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.161049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.161049 (E_RNA) where: Base-Base interactions energy: -20.835 where: short stacking energy: -20.835 Base-Backbone interact. energy: -0.000 local terms energy: -32.325925 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.017 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: 6, replica: 5 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -48.527720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.527720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.527720 (E_RNA) where: Base-Base interactions energy: -20.188 where: short stacking energy: -20.188 Base-Backbone interact. energy: -0.001 local terms energy: -28.338979 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -6.751 flat angles C4'-P-C4' energy: -6.296 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -4.172 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -46.439369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.439369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.439369 (E_RNA) where: Base-Base interactions energy: -22.439 where: short stacking energy: -18.396 Base-Backbone interact. energy: -0.163 local terms energy: -23.837494 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -6.852 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -2.799 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: 249 Temperature: 1.250000 Total energy: -48.468302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.468302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.468302 (E_RNA) where: Base-Base interactions energy: -17.279 where: short stacking energy: -17.279 Base-Backbone interact. energy: -0.010 local terms energy: -31.180010 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.696 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -46.223447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.223447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.223447 (E_RNA) where: Base-Base interactions energy: -19.502 where: short stacking energy: -9.424 Base-Backbone interact. energy: -0.042 local terms energy: -26.679682 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -7.370 tors. eta vs tors. theta energy: 0.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -40.376180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.376180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.376180 (E_RNA) where: Base-Base interactions energy: -16.183 where: short stacking energy: -16.183 Base-Backbone interact. energy: -0.001 local terms energy: -24.191911 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.769 flat angles C4'-P-C4' energy: -5.965 flat angles P-C4'-P energy: -3.744 tors. eta vs tors. theta energy: -0.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -74.835148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.835148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.835148 (E_RNA) where: Base-Base interactions energy: -40.647 where: short stacking energy: -22.105 Base-Backbone interact. energy: -0.153 local terms energy: -34.035107 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -6.144 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: 2, replica: 4 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -73.902426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.902426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.902426 (E_RNA) where: Base-Base interactions energy: -35.879 where: short stacking energy: -27.772 Base-Backbone interact. energy: -0.284 local terms energy: -37.739302 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -5.197 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: 3, replica: 2 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -61.490939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.490939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.490939 (E_RNA) where: Base-Base interactions energy: -29.580 where: short stacking energy: -18.766 Base-Backbone interact. energy: -0.186 local terms energy: -31.724454 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -4.208 tors. eta vs tors. theta energy: -3.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -55.057630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.057630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.057630 (E_RNA) where: Base-Base interactions energy: -23.432 where: short stacking energy: -23.432 Base-Backbone interact. energy: -0.003 local terms energy: -31.622577 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -5.015 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: 5, replica: 5 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -56.673416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.673416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.673416 (E_RNA) where: Base-Base interactions energy: -23.875 where: short stacking energy: -23.875 Base-Backbone interact. energy: -0.000 local terms energy: -32.798645 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.882 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -53.151533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.151533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.151533 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -21.603 Base-Backbone interact. energy: -0.002 local terms energy: -31.546695 where: bonds (distance) C4'-P energy: -4.388 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -5.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -47.508213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.508213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.508213 (E_RNA) where: Base-Base interactions energy: -20.515 where: short stacking energy: -20.487 Base-Backbone interact. energy: -0.078 local terms energy: -26.914876 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -3.363 tors. eta vs tors. theta energy: -5.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -49.701239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.701239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.701239 (E_RNA) where: Base-Base interactions energy: -21.617 where: short stacking energy: -21.617 Base-Backbone interact. energy: -0.031 local terms energy: -28.053561 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -3.670 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: 10 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -43.059522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.059522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.059522 (E_RNA) where: Base-Base interactions energy: -14.898 where: short stacking energy: -14.898 Base-Backbone interact. energy: -0.001 local terms energy: -28.160812 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -6.176 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -41.166681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.166681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.166681 (E_RNA) where: Base-Base interactions energy: -11.766 where: short stacking energy: -11.766 Base-Backbone interact. energy: -0.019 local terms energy: -29.381650 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.411 flat angles P-C4'-P energy: -5.045 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -72.787647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.787647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.787647 (E_RNA) where: Base-Base interactions energy: -38.158 where: short stacking energy: -25.081 Base-Backbone interact. energy: -0.072 local terms energy: -34.557196 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -59.378420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.378420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.378420 (E_RNA) where: Base-Base interactions energy: -27.611 where: short stacking energy: -21.497 Base-Backbone interact. energy: -0.000 local terms energy: -31.767219 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.259 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: 2 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -60.806217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.806217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.806217 (E_RNA) where: Base-Base interactions energy: -25.581 where: short stacking energy: -25.581 Base-Backbone interact. energy: -0.000 local terms energy: -35.225526 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -8.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -62.451879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.451879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.451879 (E_RNA) where: Base-Base interactions energy: -27.887 where: short stacking energy: -18.727 Base-Backbone interact. energy: -0.011 local terms energy: -34.553839 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -5.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -50.764971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.764971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.764971 (E_RNA) where: Base-Base interactions energy: -19.020 where: short stacking energy: -19.020 Base-Backbone interact. energy: -0.002 local terms energy: -31.742960 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -4.189 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: 7 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -53.571071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.571071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.571071 (E_RNA) where: Base-Base interactions energy: -18.746 where: short stacking energy: -18.746 Base-Backbone interact. energy: -0.029 local terms energy: -34.796048 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -6.164 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: 7, replica: 9 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -48.350233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.350233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.350233 (E_RNA) where: Base-Base interactions energy: -17.219 where: short stacking energy: -15.253 Base-Backbone interact. energy: -0.015 local terms energy: -31.116788 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -4.098 tors. eta vs tors. theta energy: -3.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -46.284163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.284163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.284163 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -10.719 Base-Backbone interact. energy: -0.006 local terms energy: -26.524630 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -3.149 tors. eta vs tors. theta energy: -1.368 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: 3 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -43.092220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.092220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.092220 (E_RNA) where: Base-Base interactions energy: -14.868 where: short stacking energy: -14.868 Base-Backbone interact. energy: -0.001 local terms energy: -28.222892 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -5.564 tors. eta vs tors. theta energy: -0.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -39.985832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.985832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.985832 (E_RNA) where: Base-Base interactions energy: -11.138 where: short stacking energy: -11.138 Base-Backbone interact. energy: -0.050 local terms energy: -28.797852 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.110 flat angles P-C4'-P energy: -3.739 tors. eta vs tors. theta energy: -2.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -66.071891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.071891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.071891 (E_RNA) where: Base-Base interactions energy: -30.100 where: short stacking energy: -30.100 Base-Backbone interact. energy: -0.000 local terms energy: -35.971909 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.708 flat angles P-C4'-P energy: -4.384 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: 2, replica: 1 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -70.188326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.188326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.188326 (E_RNA) where: Base-Base interactions energy: -38.479 where: short stacking energy: -23.245 Base-Backbone interact. energy: -0.003 local terms energy: -31.706374 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -7.989 flat angles P-C4'-P energy: -4.482 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: 3, replica: 2 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -56.572327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.572327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.572327 (E_RNA) where: Base-Base interactions energy: -21.793 where: short stacking energy: -21.553 Base-Backbone interact. energy: -0.003 local terms energy: -34.776235 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -5.485 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: 4, replica: 5 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -52.465579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.465579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.465579 (E_RNA) where: Base-Base interactions energy: -21.006 where: short stacking energy: -21.006 Base-Backbone interact. energy: -0.006 local terms energy: -31.454204 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -1.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -48.308517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.308517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.308517 (E_RNA) where: Base-Base interactions energy: -19.992 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.106 local terms energy: -28.211133 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -4.613 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: 6, replica: 8 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -46.924543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.924543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.924543 (E_RNA) where: Base-Base interactions energy: -19.430 where: short stacking energy: -19.430 Base-Backbone interact. energy: -0.002 local terms energy: -27.492414 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -2.901 tors. eta vs tors. theta energy: -3.247 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: 10 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -54.943105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.943105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.943105 (E_RNA) where: Base-Base interactions energy: -24.485 where: short stacking energy: -16.379 Base-Backbone interact. energy: -0.000 local terms energy: -30.457243 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -7.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -47.274798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.274798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.274798 (E_RNA) where: Base-Base interactions energy: -15.211 where: short stacking energy: -14.283 Base-Backbone interact. energy: -0.004 local terms energy: -32.059093 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -9.016 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -48.179270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.179270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.179270 (E_RNA) where: Base-Base interactions energy: -19.301 where: short stacking energy: -19.301 Base-Backbone interact. energy: -0.045 local terms energy: -28.833210 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -2.678 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -38.133436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.133436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.133436 (E_RNA) where: Base-Base interactions energy: -15.127 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.090 local terms energy: -22.915997 where: bonds (distance) C4'-P energy: -3.850 bonds (distance) P-C4' energy: -2.966 flat angles C4'-P-C4' energy: -9.066 flat angles P-C4'-P energy: -5.351 tors. eta vs tors. theta energy: -1.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -65.249521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.249521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.249521 (E_RNA) where: Base-Base interactions energy: -29.599 where: short stacking energy: -29.599 Base-Backbone interact. energy: -0.000 local terms energy: -35.650685 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -6.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -62.465963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.465963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.465963 (E_RNA) where: Base-Base interactions energy: -30.176 where: short stacking energy: -30.176 Base-Backbone interact. energy: -0.033 local terms energy: -32.256812 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -3.822 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: 3, replica: 1 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -64.648139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.648139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.648139 (E_RNA) where: Base-Base interactions energy: -30.123 where: short stacking energy: -18.700 Base-Backbone interact. energy: -0.096 local terms energy: -34.429352 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -4.041 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: 4, replica: 7 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -52.724435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.724435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.724435 (E_RNA) where: Base-Base interactions energy: -24.095 where: short stacking energy: -17.981 Base-Backbone interact. energy: -0.001 local terms energy: -28.627899 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.669 flat angles P-C4'-P energy: -1.345 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: 5, replica: 5 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -59.336770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.336770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.336770 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.000 local terms energy: -34.419368 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -2.279 tors. eta vs tors. theta energy: -7.625 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: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -54.148165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.148165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.148165 (E_RNA) where: Base-Base interactions energy: -19.904 where: short stacking energy: -19.904 Base-Backbone interact. energy: -0.000 local terms energy: -34.243639 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -9.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -47.138388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.138388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.138388 (E_RNA) where: Base-Base interactions energy: -22.040 where: short stacking energy: -16.107 Base-Backbone interact. energy: -0.017 local terms energy: -25.081757 where: bonds (distance) C4'-P energy: -2.074 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -2.822 flat angles P-C4'-P energy: -6.203 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: 8, replica: 3 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -48.984053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.984053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.984053 (E_RNA) where: Base-Base interactions energy: -20.058 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.179 local terms energy: -28.747515 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -5.928 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -2.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -54.974500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.974500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.974500 (E_RNA) where: Base-Base interactions energy: -27.808 where: short stacking energy: -19.156 Base-Backbone interact. energy: -0.021 local terms energy: -27.145377 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -2.600 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: 6 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -43.369737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.369737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.369737 (E_RNA) where: Base-Base interactions energy: -16.239 where: short stacking energy: -16.439 Base-Backbone interact. energy: -0.003 local terms energy: -27.128019 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.512 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -2.358 tors. eta vs tors. theta energy: -3.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -56.492706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.492706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.492706 (E_RNA) where: Base-Base interactions energy: -22.807 where: short stacking energy: -22.807 Base-Backbone interact. energy: -0.001 local terms energy: -33.684229 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -4.593 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: 254 Temperature: 0.950000 Total energy: -54.738865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.738865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.738865 (E_RNA) where: Base-Base interactions energy: -19.372 where: short stacking energy: -19.372 Base-Backbone interact. energy: -0.000 local terms energy: -35.366709 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -3.972 tors. eta vs tors. theta energy: -7.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -56.777631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.777631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.777631 (E_RNA) where: Base-Base interactions energy: -25.316 where: short stacking energy: -25.316 Base-Backbone interact. energy: -0.013 local terms energy: -31.448982 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -5.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -56.771790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.771790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.771790 (E_RNA) where: Base-Base interactions energy: -22.829 where: short stacking energy: -22.829 Base-Backbone interact. energy: -0.001 local terms energy: -33.941072 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -6.181 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -6.633 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: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -46.657865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.657865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.657865 (E_RNA) where: Base-Base interactions energy: -18.676 where: short stacking energy: -18.676 Base-Backbone interact. energy: -0.011 local terms energy: -27.971053 where: bonds (distance) C4'-P energy: -5.573 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -2.331 tors. eta vs tors. theta energy: -2.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -59.586040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.586040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.586040 (E_RNA) where: Base-Base interactions energy: -27.591 where: short stacking energy: -24.299 Base-Backbone interact. energy: -0.875 local terms energy: -31.120078 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.780 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: 7, replica: 3 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -54.198019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.198019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.198019 (E_RNA) where: Base-Base interactions energy: -20.094 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.355 local terms energy: -33.749048 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -2.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -46.552128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.552128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.552128 (E_RNA) where: Base-Base interactions energy: -16.038 where: short stacking energy: -13.413 Base-Backbone interact. energy: -0.022 local terms energy: -30.492166 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -6.117 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: 9, replica: 6 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -45.146904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.146904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.146904 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.000 local terms energy: -27.438792 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -4.395 flat angles P-C4'-P energy: -4.596 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: 10, replica: 9 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -43.426006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.426006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.426006 (E_RNA) where: Base-Base interactions energy: -14.091 where: short stacking energy: -11.595 Base-Backbone interact. energy: -0.144 local terms energy: -29.191319 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -0.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -66.531376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.531376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.531376 (E_RNA) where: Base-Base interactions energy: -30.455 where: short stacking energy: -30.455 Base-Backbone interact. energy: -0.000 local terms energy: -36.076210 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.250 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: 2, replica: 7 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -61.894478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.894478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.894478 (E_RNA) where: Base-Base interactions energy: -26.020 where: short stacking energy: -26.020 Base-Backbone interact. energy: -0.010 local terms energy: -35.865096 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -5.993 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: 3, replica: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -58.346904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.346904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.346904 (E_RNA) where: Base-Base interactions energy: -26.506 where: short stacking energy: -26.506 Base-Backbone interact. energy: -0.000 local terms energy: -31.840513 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -3.796 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: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -54.567702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.567702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.567702 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -22.544 Base-Backbone interact. energy: -0.002 local terms energy: -32.021849 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -47.049703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.049703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.049703 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -16.067 Base-Backbone interact. energy: -0.001 local terms energy: -30.982342 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -4.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -50.969776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.969776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.969776 (E_RNA) where: Base-Base interactions energy: -21.410 where: short stacking energy: -21.410 Base-Backbone interact. energy: -0.031 local terms energy: -29.529041 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -4.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -49.834311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.834311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.834311 (E_RNA) where: Base-Base interactions energy: -22.170 where: short stacking energy: -19.976 Base-Backbone interact. energy: -0.025 local terms energy: -27.639059 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -3.592 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: 8, replica: 6 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -48.209176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.209176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.209176 (E_RNA) where: Base-Base interactions energy: -18.343 where: short stacking energy: -18.343 Base-Backbone interact. energy: -0.000 local terms energy: -29.866257 where: bonds (distance) C4'-P energy: -4.798 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -4.764 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: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -40.548797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.548797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.548797 (E_RNA) where: Base-Base interactions energy: -16.614 where: short stacking energy: -15.532 Base-Backbone interact. energy: -0.118 local terms energy: -23.816104 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -1.812 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: 10, replica: 9 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -42.065622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.065622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.065622 (E_RNA) where: Base-Base interactions energy: -16.118 where: short stacking energy: -16.118 Base-Backbone interact. energy: -0.052 local terms energy: -25.895809 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -1.498 tors. eta vs tors. theta energy: -4.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -56.879918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.879918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.879918 (E_RNA) where: Base-Base interactions energy: -23.121 where: short stacking energy: -23.121 Base-Backbone interact. energy: -0.010 local terms energy: -33.748771 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -3.693 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: 2, replica: 4 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -59.877613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.877613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.877613 (E_RNA) where: Base-Base interactions energy: -26.077 where: short stacking energy: -26.077 Base-Backbone interact. energy: -0.000 local terms energy: -33.800607 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -5.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -53.064520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.064520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.064520 (E_RNA) where: Base-Base interactions energy: -18.146 where: short stacking energy: -18.146 Base-Backbone interact. energy: -0.072 local terms energy: -34.846739 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -51.832006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.832006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.832006 (E_RNA) where: Base-Base interactions energy: -19.820 where: short stacking energy: -14.476 Base-Backbone interact. energy: -0.001 local terms energy: -32.010975 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -2.649 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -6.384 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: 5 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -45.696942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.696942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.696942 (E_RNA) where: Base-Base interactions energy: -23.153 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.017 local terms energy: -22.527095 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -6.240 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -4.960 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -48.643155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.643155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.643155 (E_RNA) where: Base-Base interactions energy: -18.478 where: short stacking energy: -18.240 Base-Backbone interact. energy: -0.032 local terms energy: -30.133682 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -5.405 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: 7, replica: 6 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -51.201246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.201246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.201246 (E_RNA) where: Base-Base interactions energy: -18.420 where: short stacking energy: -18.420 Base-Backbone interact. energy: -0.013 local terms energy: -32.768935 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -5.406 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: 8, replica: 3 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -45.377641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.377641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.377641 (E_RNA) where: Base-Base interactions energy: -20.607 where: short stacking energy: -20.607 Base-Backbone interact. energy: -0.158 local terms energy: -24.612579 where: bonds (distance) C4'-P energy: -1.896 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.121 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -2.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -44.002774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.002774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.002774 (E_RNA) where: Base-Base interactions energy: -16.267 where: short stacking energy: -10.288 Base-Backbone interact. energy: -0.215 local terms energy: -27.520670 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.175 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: 10, replica: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -46.342458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.342458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.342458 (E_RNA) where: Base-Base interactions energy: -16.013 where: short stacking energy: -16.013 Base-Backbone interact. energy: -0.025 local terms energy: -30.304111 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.162 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: 1, replica: 7 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -60.953424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.953424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.953424 (E_RNA) where: Base-Base interactions energy: -24.563 where: short stacking energy: -24.563 Base-Backbone interact. energy: -0.143 local terms energy: -36.248031 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -4.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -60.170430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.170430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.170430 (E_RNA) where: Base-Base interactions energy: -24.158 where: short stacking energy: -24.127 Base-Backbone interact. energy: -0.001 local terms energy: -36.011972 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -7.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -56.378838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.378838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.378838 (E_RNA) where: Base-Base interactions energy: -24.971 where: short stacking energy: -24.971 Base-Backbone interact. energy: -0.098 local terms energy: -31.310010 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -54.281723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.281723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.281723 (E_RNA) where: Base-Base interactions energy: -24.049 where: short stacking energy: -24.049 Base-Backbone interact. energy: 1.168 local terms energy: -31.400730 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.129 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -4.919 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: 5 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -52.244374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.244374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.244374 (E_RNA) where: Base-Base interactions energy: -21.934 where: short stacking energy: -21.934 Base-Backbone interact. energy: -0.001 local terms energy: -30.309502 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.198 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: 6, replica: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -54.465812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.465812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.465812 (E_RNA) where: Base-Base interactions energy: -21.980 where: short stacking energy: -21.980 Base-Backbone interact. energy: -0.038 local terms energy: -32.447516 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -4.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -47.913480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.913480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.913480 (E_RNA) where: Base-Base interactions energy: -14.583 where: short stacking energy: -14.583 Base-Backbone interact. energy: -0.120 local terms energy: -33.209762 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -49.535624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.535624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.535624 (E_RNA) where: Base-Base interactions energy: -24.427 where: short stacking energy: -15.443 Base-Backbone interact. energy: -0.045 local terms energy: -25.064035 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -4.108 flat angles P-C4'-P energy: -2.302 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -42.583865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.583865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.583865 (E_RNA) where: Base-Base interactions energy: -15.560 where: short stacking energy: -15.560 Base-Backbone interact. energy: -0.098 local terms energy: -26.926067 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -2.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -54.289615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.289615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.289615 (E_RNA) where: Base-Base interactions energy: -25.415 where: short stacking energy: -25.415 Base-Backbone interact. energy: -0.000 local terms energy: -28.874789 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: 0.180 tors. eta vs tors. theta energy: -5.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -60.638365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.638365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.638365 (E_RNA) where: Base-Base interactions energy: -30.542 where: short stacking energy: -23.865 Base-Backbone interact. energy: -0.025 local terms energy: -30.071730 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -1.326 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: 2, replica: 10 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -60.240677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.240677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.240677 (E_RNA) where: Base-Base interactions energy: -27.003 where: short stacking energy: -24.174 Base-Backbone interact. energy: -0.000 local terms energy: -33.236983 where: bonds (distance) C4'-P energy: -6.694 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.072 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: 2 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -56.408787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.408787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.408787 (E_RNA) where: Base-Base interactions energy: -23.371 where: short stacking energy: -21.057 Base-Backbone interact. energy: -0.003 local terms energy: -33.034752 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -5.884 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: 4, replica: 4 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -59.813691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.813691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.813691 (E_RNA) where: Base-Base interactions energy: -22.634 where: short stacking energy: -22.634 Base-Backbone interact. energy: -0.100 local terms energy: -37.079583 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -56.135288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.135288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.135288 (E_RNA) where: Base-Base interactions energy: -22.657 where: short stacking energy: -20.959 Base-Backbone interact. energy: -0.000 local terms energy: -33.477861 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -2.479 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: 5 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -46.828292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.828292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.828292 (E_RNA) where: Base-Base interactions energy: -20.271 where: short stacking energy: -20.271 Base-Backbone interact. energy: -0.007 local terms energy: -26.550673 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -6.418 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: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -42.399702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.399702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.399702 (E_RNA) where: Base-Base interactions energy: -16.347 where: short stacking energy: -16.347 Base-Backbone interact. energy: -0.019 local terms energy: -26.034132 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -7.257 flat angles P-C4'-P energy: -1.762 tors. eta vs tors. theta energy: -1.319 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: 6 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -44.592345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.592345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.592345 (E_RNA) where: Base-Base interactions energy: -16.921 where: short stacking energy: -12.637 Base-Backbone interact. energy: -0.076 local terms energy: -27.595441 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.913 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: 0.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -46.459957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.459957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.459957 (E_RNA) where: Base-Base interactions energy: -19.472 where: short stacking energy: -18.361 Base-Backbone interact. energy: -0.023 local terms energy: -26.965044 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -1.174 tors. eta vs tors. theta energy: -2.785 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: 3 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -45.080660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.080660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.080660 (E_RNA) where: Base-Base interactions energy: -17.136 where: short stacking energy: -9.586 Base-Backbone interact. energy: -0.033 local terms energy: -27.912191 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -69.943297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.943297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.943297 (E_RNA) where: Base-Base interactions energy: -32.631 where: short stacking energy: -25.896 Base-Backbone interact. energy: -0.019 local terms energy: -37.293494 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.584 flat angles P-C4'-P energy: -6.108 tors. eta vs tors. theta energy: -8.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -61.087909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.087909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.087909 (E_RNA) where: Base-Base interactions energy: -25.390 where: short stacking energy: -25.390 Base-Backbone interact. energy: -0.001 local terms energy: -35.696858 where: bonds (distance) C4'-P energy: -7.303 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -6.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -64.205486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.205486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.205486 (E_RNA) where: Base-Base interactions energy: -29.924 where: short stacking energy: -25.318 Base-Backbone interact. energy: -0.088 local terms energy: -34.192994 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -6.257 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: 4, replica: 4 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -62.953421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.953421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.953421 (E_RNA) where: Base-Base interactions energy: -26.523 where: short stacking energy: -25.579 Base-Backbone interact. energy: -0.000 local terms energy: -36.430111 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -6.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -53.785209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.785209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.785209 (E_RNA) where: Base-Base interactions energy: -21.310 where: short stacking energy: -21.310 Base-Backbone interact. energy: -0.000 local terms energy: -32.475030 where: bonds (distance) C4'-P energy: -5.365 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -3.734 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: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -48.593955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.593955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.593955 (E_RNA) where: Base-Base interactions energy: -24.729 where: short stacking energy: -15.539 Base-Backbone interact. energy: -0.002 local terms energy: -23.863141 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -4.365 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -43.943747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.943747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.943747 (E_RNA) where: Base-Base interactions energy: -13.270 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.017 local terms energy: -30.657167 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.873 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -6.821 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -43.454465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.454465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.454465 (E_RNA) where: Base-Base interactions energy: -18.078 where: short stacking energy: -18.078 Base-Backbone interact. energy: -0.000 local terms energy: -25.376397 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.956 flat angles P-C4'-P energy: -2.392 tors. eta vs tors. theta energy: -0.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -46.749429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.749429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.749429 (E_RNA) where: Base-Base interactions energy: -23.594 where: short stacking energy: -18.834 Base-Backbone interact. energy: -0.001 local terms energy: -23.154906 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -5.837 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -0.931 tors. eta vs tors. theta energy: -3.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -44.974767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.974767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.974767 (E_RNA) where: Base-Base interactions energy: -17.594 where: short stacking energy: -11.695 Base-Backbone interact. energy: -0.073 local terms energy: -27.307205 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -3.357 tors. eta vs tors. theta energy: -5.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -67.349435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.349435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.349435 (E_RNA) where: Base-Base interactions energy: -29.997 where: short stacking energy: -29.997 Base-Backbone interact. energy: -0.000 local terms energy: -37.352099 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.399 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -9.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -70.030226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.030226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.030226 (E_RNA) where: Base-Base interactions energy: -33.473 where: short stacking energy: -31.717 Base-Backbone interact. energy: -0.000 local terms energy: -36.557209 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.685 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: 260 Temperature: 1.000000 Total energy: -53.761149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.761149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.761149 (E_RNA) where: Base-Base interactions energy: -24.037 where: short stacking energy: -12.412 Base-Backbone interact. energy: -0.349 local terms energy: -29.375218 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.156 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -2.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -57.113979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.113979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.113979 (E_RNA) where: Base-Base interactions energy: -24.530 where: short stacking energy: -16.305 Base-Backbone interact. energy: -0.030 local terms energy: -32.554414 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -5.196 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -45.796688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.796688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.796688 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.004 local terms energy: -31.629762 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -5.001 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: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -51.246616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.246616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.246616 (E_RNA) where: Base-Base interactions energy: -26.645 where: short stacking energy: -14.680 Base-Backbone interact. energy: -0.530 local terms energy: -24.071970 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -2.738 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -5.145 tors. eta vs tors. theta energy: -0.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -43.184157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.184157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.184157 (E_RNA) where: Base-Base interactions energy: -15.731 where: short stacking energy: -15.564 Base-Backbone interact. energy: -0.067 local terms energy: -27.385436 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -4.350 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -4.086 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: 9 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -43.685536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.685536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.685536 (E_RNA) where: Base-Base interactions energy: -14.000 where: short stacking energy: -14.000 Base-Backbone interact. energy: -0.064 local terms energy: -29.621551 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.931 flat angles P-C4'-P energy: -4.379 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: 3 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -45.526941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.526941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.526941 (E_RNA) where: Base-Base interactions energy: -16.691 where: short stacking energy: -16.691 Base-Backbone interact. energy: -0.002 local terms energy: -28.834182 where: bonds (distance) C4'-P energy: -4.744 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -5.900 tors. eta vs tors. theta energy: -2.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -40.078955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.078955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.078955 (E_RNA) where: Base-Base interactions energy: -11.823 where: short stacking energy: -11.823 Base-Backbone interact. energy: -0.000 local terms energy: -28.255581 where: bonds (distance) C4'-P energy: -6.666 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -3.177 tors. eta vs tors. theta energy: -1.609 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: 2 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -61.785982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.785982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.785982 (E_RNA) where: Base-Base interactions energy: -24.151 where: short stacking energy: -24.151 Base-Backbone interact. energy: -0.000 local terms energy: -37.635149 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -7.233 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: 2, replica: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -51.425026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.425026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.425026 (E_RNA) where: Base-Base interactions energy: -21.045 where: short stacking energy: -21.045 Base-Backbone interact. energy: -0.088 local terms energy: -30.291924 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -3.304 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: 3, replica: 7 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -62.911697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.911697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.911697 (E_RNA) where: Base-Base interactions energy: -25.259 where: short stacking energy: -25.259 Base-Backbone interact. energy: -0.051 local terms energy: -37.601470 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -6.936 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: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -53.172069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.172069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.172069 (E_RNA) where: Base-Base interactions energy: -22.371 where: short stacking energy: -22.371 Base-Backbone interact. energy: -0.747 local terms energy: -30.054223 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.561 flat angles P-C4'-P energy: -1.842 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: 10 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -47.740970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.740970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.740970 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -17.731 Base-Backbone interact. energy: -0.017 local terms energy: -29.704519 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -3.845 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -47.745799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.745799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.745799 (E_RNA) where: Base-Base interactions energy: -16.932 where: short stacking energy: -16.932 Base-Backbone interact. energy: -0.002 local terms energy: -30.812360 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -3.299 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: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -44.173371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.173371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.173371 (E_RNA) where: Base-Base interactions energy: -16.619 where: short stacking energy: -16.619 Base-Backbone interact. energy: -1.605 local terms energy: -25.949545 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: 0.310 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: 261 Temperature: 1.250000 Total energy: -42.678548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.678548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.678548 (E_RNA) where: Base-Base interactions energy: -14.466 where: short stacking energy: -11.198 Base-Backbone interact. energy: -0.001 local terms energy: -28.211610 where: bonds (distance) C4'-P energy: -4.310 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -3.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -43.755827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.755827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.755827 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -14.138 Base-Backbone interact. energy: -0.077 local terms energy: -29.540268 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.395 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -0.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -41.987422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.987422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.987422 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -14.552 Base-Backbone interact. energy: -0.089 local terms energy: -25.642861 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -6.068 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: 4 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -63.799484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.799484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.799484 (E_RNA) where: Base-Base interactions energy: -29.944 where: short stacking energy: -25.317 Base-Backbone interact. energy: -0.000 local terms energy: -33.855629 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -5.283 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: 2, replica: 2 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -62.626505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.626505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.626505 (E_RNA) where: Base-Base interactions energy: -25.831 where: short stacking energy: -25.831 Base-Backbone interact. energy: -0.000 local terms energy: -36.795314 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -6.378 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: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -62.996835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.996835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.996835 (E_RNA) where: Base-Base interactions energy: -29.085 where: short stacking energy: -25.182 Base-Backbone interact. energy: -0.000 local terms energy: -33.912229 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -4.118 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: 4, replica: 7 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -55.430188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.430188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.430188 (E_RNA) where: Base-Base interactions energy: -23.971 where: short stacking energy: -23.971 Base-Backbone interact. energy: -0.000 local terms energy: -31.459151 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -2.952 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: 5, replica: 10 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -50.869468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.869468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.869468 (E_RNA) where: Base-Base interactions energy: -23.365 where: short stacking energy: -23.365 Base-Backbone interact. energy: -0.002 local terms energy: -27.502764 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -1.746 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: 6, replica: 8 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -51.075224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.075224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.075224 (E_RNA) where: Base-Base interactions energy: -20.508 where: short stacking energy: -20.508 Base-Backbone interact. energy: -0.062 local terms energy: -30.504878 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.188 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -5.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -52.576445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.576445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.576445 (E_RNA) where: Base-Base interactions energy: -19.257 where: short stacking energy: -19.257 Base-Backbone interact. energy: -0.070 local terms energy: -33.250249 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -5.019 tors. eta vs tors. theta energy: -5.109 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: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -53.199830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.199830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.199830 (E_RNA) where: Base-Base interactions energy: -22.547 where: short stacking energy: -22.838 Base-Backbone interact. energy: -0.122 local terms energy: -30.530347 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -43.630157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.630157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.630157 (E_RNA) where: Base-Base interactions energy: -16.714 where: short stacking energy: -12.800 Base-Backbone interact. energy: -0.132 local terms energy: -26.783804 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -4.683 tors. eta vs tors. theta energy: -1.563 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: 10, replica: 9 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -44.041995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.041995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.041995 (E_RNA) where: Base-Base interactions energy: -13.049 where: short stacking energy: -13.049 Base-Backbone interact. energy: -0.001 local terms energy: -30.991524 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.131 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: 4 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -66.570352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.570352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.570352 (E_RNA) where: Base-Base interactions energy: -29.698 where: short stacking energy: -29.698 Base-Backbone interact. energy: -0.000 local terms energy: -36.872801 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.539 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: 2, replica: 1 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -70.563986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.563986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.563986 (E_RNA) where: Base-Base interactions energy: -33.387 where: short stacking energy: -33.387 Base-Backbone interact. energy: -0.000 local terms energy: -37.176511 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -11.692 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: 2 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -57.548282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.548282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.548282 (E_RNA) where: Base-Base interactions energy: -26.456 where: short stacking energy: -19.457 Base-Backbone interact. energy: -0.021 local terms energy: -31.072189 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -2.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -48.518788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.518788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.518788 (E_RNA) where: Base-Base interactions energy: -15.528 where: short stacking energy: -10.302 Base-Backbone interact. energy: -0.167 local terms energy: -32.823726 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -6.132 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: 5, replica: 10 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -56.924418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.924418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.924418 (E_RNA) where: Base-Base interactions energy: -31.110 where: short stacking energy: -14.293 Base-Backbone interact. energy: -0.041 local terms energy: -25.772656 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -0.403 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -58.023061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.023061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.023061 (E_RNA) where: Base-Base interactions energy: -26.189 where: short stacking energy: -22.819 Base-Backbone interact. energy: -0.083 local terms energy: -31.750741 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -5.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -51.756153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.756153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.756153 (E_RNA) where: Base-Base interactions energy: -19.727 where: short stacking energy: -19.727 Base-Backbone interact. energy: -0.017 local terms energy: -32.012451 where: bonds (distance) C4'-P energy: -8.309 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -3.267 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: 8, replica: 6 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -43.304592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.304592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.304592 (E_RNA) where: Base-Base interactions energy: -15.777 where: short stacking energy: -15.777 Base-Backbone interact. energy: -0.072 local terms energy: -27.455604 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.496 flat angles P-C4'-P energy: -4.190 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -45.586534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.586534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.586534 (E_RNA) where: Base-Base interactions energy: -20.754 where: short stacking energy: -20.754 Base-Backbone interact. energy: -0.016 local terms energy: -24.815908 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -4.845 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: 0.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -42.270452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.270452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.270452 (E_RNA) where: Base-Base interactions energy: -18.750 where: short stacking energy: -18.750 Base-Backbone interact. energy: -0.001 local terms energy: -23.519292 where: bonds (distance) C4'-P energy: -2.847 bonds (distance) P-C4' energy: -7.408 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -3.318 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: 1 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -75.217665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.217665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.217665 (E_RNA) where: Base-Base interactions energy: -35.025 where: short stacking energy: -35.025 Base-Backbone interact. energy: -0.000 local terms energy: -40.192211 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -10.180 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: 264 Temperature: 0.950000 Total energy: -58.563812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.563812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.563812 (E_RNA) where: Base-Base interactions energy: -24.490 where: short stacking energy: -24.490 Base-Backbone interact. energy: -0.082 local terms energy: -33.991350 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -6.181 tors. eta vs tors. theta energy: -2.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -62.086613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.086613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.086613 (E_RNA) where: Base-Base interactions energy: -30.636 where: short stacking energy: -29.671 Base-Backbone interact. energy: -0.083 local terms energy: -31.367014 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.758 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -8.448 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: 7 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -50.956470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.956470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.956470 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -17.900 Base-Backbone interact. energy: -0.080 local terms energy: -32.826975 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -5.002 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -61.202956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.202956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.202956 (E_RNA) where: Base-Base interactions energy: -29.167 where: short stacking energy: -22.968 Base-Backbone interact. energy: -0.050 local terms energy: -31.986069 where: bonds (distance) C4'-P energy: -6.671 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: -5.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -48.282170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.282170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.282170 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.001 local terms energy: -33.663299 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -6.014 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -7.479 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: 7, replica: 6 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -52.624749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.624749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.624749 (E_RNA) where: Base-Base interactions energy: -27.355 where: short stacking energy: -12.216 Base-Backbone interact. energy: -0.005 local terms energy: -25.264719 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -7.012 tors. eta vs tors. theta energy: -0.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -42.587740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.587740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.587740 (E_RNA) where: Base-Base interactions energy: -12.994 where: short stacking energy: -12.994 Base-Backbone interact. energy: -0.071 local terms energy: -29.523149 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -1.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -54.757262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.757262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.757262 (E_RNA) where: Base-Base interactions energy: -20.381 where: short stacking energy: -19.414 Base-Backbone interact. energy: -0.001 local terms energy: -34.375537 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -5.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -39.868645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.868645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.868645 (E_RNA) where: Base-Base interactions energy: -11.175 where: short stacking energy: -11.175 Base-Backbone interact. energy: -0.014 local terms energy: -28.679993 where: bonds (distance) C4'-P energy: -8.428 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: 0.461 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: 1 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -64.422430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.422430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.422430 (E_RNA) where: Base-Base interactions energy: -30.248 where: short stacking energy: -30.248 Base-Backbone interact. energy: -0.028 local terms energy: -34.146366 where: bonds (distance) C4'-P energy: -7.505 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -5.013 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: 2, replica: 4 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -60.263861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.263861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.263861 (E_RNA) where: Base-Base interactions energy: -26.113 where: short stacking energy: -26.113 Base-Backbone interact. energy: -0.004 local terms energy: -34.146429 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -4.792 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: 3, replica: 2 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -60.142278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.142278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.142278 (E_RNA) where: Base-Base interactions energy: -27.753 where: short stacking energy: -23.617 Base-Backbone interact. energy: -0.001 local terms energy: -32.388104 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.966 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: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -56.142195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.142195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.142195 (E_RNA) where: Base-Base interactions energy: -28.311 where: short stacking energy: -22.391 Base-Backbone interact. energy: -0.001 local terms energy: -27.830116 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.946 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -2.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -54.193407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.193407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.193407 (E_RNA) where: Base-Base interactions energy: -26.047 where: short stacking energy: -26.047 Base-Backbone interact. energy: -0.002 local terms energy: -28.143897 where: bonds (distance) C4'-P energy: -5.538 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -5.636 flat angles P-C4'-P energy: -2.585 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -49.755198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.755198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.755198 (E_RNA) where: Base-Base interactions energy: -19.036 where: short stacking energy: -19.036 Base-Backbone interact. energy: -0.001 local terms energy: -30.718835 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -7.107 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -7.156 tors. eta vs tors. theta energy: -4.979 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: 7, replica: 10 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -47.495159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.495159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.495159 (E_RNA) where: Base-Base interactions energy: -21.001 where: short stacking energy: -21.001 Base-Backbone interact. energy: -0.003 local terms energy: -26.491264 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -1.516 tors. eta vs tors. theta energy: -2.376 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: 9 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -46.949032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.949032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.949032 (E_RNA) where: Base-Base interactions energy: -18.336 where: short stacking energy: -14.970 Base-Backbone interact. energy: -0.864 local terms energy: -27.748400 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -4.338 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: 9, replica: 8 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -46.330832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.330832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.330832 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -18.264 Base-Backbone interact. energy: -0.000 local terms energy: -28.066211 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.346 flat angles P-C4'-P energy: -4.658 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: 5 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -39.208850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.208850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.208850 (E_RNA) where: Base-Base interactions energy: -12.553 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.536 local terms energy: -26.119979 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -1.740 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: 1, replica: 1 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -63.207240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.207240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.207240 (E_RNA) where: Base-Base interactions energy: -30.422 where: short stacking energy: -24.716 Base-Backbone interact. energy: -0.361 local terms energy: -32.424000 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -4.571 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: 2, replica: 4 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -68.175583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.175583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.175583 (E_RNA) where: Base-Base interactions energy: -30.132 where: short stacking energy: -30.132 Base-Backbone interact. energy: -0.000 local terms energy: -38.043190 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -5.146 tors. eta vs tors. theta energy: -9.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -57.772880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.772880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.772880 (E_RNA) where: Base-Base interactions energy: -20.820 where: short stacking energy: -20.820 Base-Backbone interact. energy: -0.000 local terms energy: -36.952243 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -6.993 tors. eta vs tors. theta energy: -6.475 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: 4, replica: 2 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -53.965672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.965672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.965672 (E_RNA) where: Base-Base interactions energy: -21.648 where: short stacking energy: -21.648 Base-Backbone interact. energy: -0.000 local terms energy: -32.317458 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -3.203 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: 5, replica: 6 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -65.568465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.568465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.568465 (E_RNA) where: Base-Base interactions energy: -31.652 where: short stacking energy: -31.652 Base-Backbone interact. energy: -0.013 local terms energy: -33.903840 where: bonds (distance) C4'-P energy: -3.816 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.824 flat angles P-C4'-P energy: -5.208 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: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -54.379666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.379666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.379666 (E_RNA) where: Base-Base interactions energy: -22.853 where: short stacking energy: -22.853 Base-Backbone interact. energy: -0.089 local terms energy: -31.437792 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.859 flat angles P-C4'-P energy: -6.208 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: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -41.758179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.758179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.758179 (E_RNA) where: Base-Base interactions energy: -11.167 where: short stacking energy: -11.167 Base-Backbone interact. energy: -0.024 local terms energy: -30.566712 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -0.217 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: 10 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -43.570616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.570616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.570616 (E_RNA) where: Base-Base interactions energy: -12.365 where: short stacking energy: -12.365 Base-Backbone interact. energy: -0.086 local terms energy: -31.119287 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -5.009 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: 9, replica: 8 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -44.220249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.220249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.220249 (E_RNA) where: Base-Base interactions energy: -18.095 where: short stacking energy: -18.095 Base-Backbone interact. energy: -0.005 local terms energy: -26.120383 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -2.185 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: 10, replica: 5 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -41.696269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.696269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.696269 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -10.763 Base-Backbone interact. energy: -0.001 local terms energy: -29.149615 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -3.085 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -64.247133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.247133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.247133 (E_RNA) where: Base-Base interactions energy: -29.112 where: short stacking energy: -20.495 Base-Backbone interact. energy: -0.015 local terms energy: -35.120405 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.497 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: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -61.458485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.458485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.458485 (E_RNA) where: Base-Base interactions energy: -23.778 where: short stacking energy: -23.778 Base-Backbone interact. energy: -0.026 local terms energy: -37.654091 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -9.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -65.748602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.748602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.748602 (E_RNA) where: Base-Base interactions energy: -41.812 where: short stacking energy: -26.058 Base-Backbone interact. energy: -0.003 local terms energy: -23.933567 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -4.550 flat angles P-C4'-P energy: 0.158 tors. eta vs tors. theta energy: -5.157 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: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -57.875878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.875878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.875878 (E_RNA) where: Base-Base interactions energy: -23.267 where: short stacking energy: -20.614 Base-Backbone interact. energy: -0.064 local terms energy: -34.544635 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -5.339 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: 5, replica: 2 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -50.761911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.761911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.761911 (E_RNA) where: Base-Base interactions energy: -20.450 where: short stacking energy: -20.450 Base-Backbone interact. energy: -0.017 local terms energy: -30.295083 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -4.290 tors. eta vs tors. theta energy: -2.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -47.915068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.915068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.915068 (E_RNA) where: Base-Base interactions energy: -16.794 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.001 local terms energy: -31.120077 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.910 flat angles P-C4'-P energy: -3.481 tors. eta vs tors. theta energy: -2.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -39.963128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.963128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.963128 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.079 local terms energy: -26.906240 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -3.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -38.452398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.452398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.452398 (E_RNA) where: Base-Base interactions energy: -17.068 where: short stacking energy: -16.697 Base-Backbone interact. energy: 0.182 local terms energy: -21.566868 where: bonds (distance) C4'-P energy: -3.361 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -1.590 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -42.067960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.067960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.067960 (E_RNA) where: Base-Base interactions energy: -13.447 where: short stacking energy: -13.447 Base-Backbone interact. energy: -0.000 local terms energy: -28.621025 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -0.862 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: 10, replica: 5 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -38.072988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.072988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.072988 (E_RNA) where: Base-Base interactions energy: -11.834 where: short stacking energy: -11.834 Base-Backbone interact. energy: -0.142 local terms energy: -26.097278 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -2.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -60.901554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.901554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.901554 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.475 Base-Backbone interact. energy: -0.162 local terms energy: -40.264477 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -7.276 tors. eta vs tors. theta energy: -7.639 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: 268 Temperature: 0.950000 Total energy: -58.060933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.060933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.060933 (E_RNA) where: Base-Base interactions energy: -27.893 where: short stacking energy: -22.061 Base-Backbone interact. energy: -0.015 local terms energy: -30.152817 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -2.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -59.508492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.508492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.508492 (E_RNA) where: Base-Base interactions energy: -28.095 where: short stacking energy: -28.056 Base-Backbone interact. energy: -0.000 local terms energy: -31.413607 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -4.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -59.012428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.012428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.012428 (E_RNA) where: Base-Base interactions energy: -26.746 where: short stacking energy: -16.981 Base-Backbone interact. energy: -0.000 local terms energy: -32.266284 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.244 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -3.863 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: 5, replica: 9 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -51.971636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.971636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.971636 (E_RNA) where: Base-Base interactions energy: -17.214 where: short stacking energy: -17.214 Base-Backbone interact. energy: -0.001 local terms energy: -34.757199 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.895 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -48.206344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.206344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.206344 (E_RNA) where: Base-Base interactions energy: -22.260 where: short stacking energy: -15.422 Base-Backbone interact. energy: -0.016 local terms energy: -25.930524 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -5.175 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -0.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -49.421323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.421323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.421323 (E_RNA) where: Base-Base interactions energy: -22.075 where: short stacking energy: -16.035 Base-Backbone interact. energy: -0.081 local terms energy: -27.264906 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.242 flat angles P-C4'-P energy: -3.493 tors. eta vs tors. theta energy: -2.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -48.417056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.417056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.417056 (E_RNA) where: Base-Base interactions energy: -14.662 where: short stacking energy: -14.662 Base-Backbone interact. energy: -0.005 local terms energy: -33.749952 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -6.353 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -47.000019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.000019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.000019 (E_RNA) where: Base-Base interactions energy: -14.918 where: short stacking energy: -14.918 Base-Backbone interact. energy: -0.168 local terms energy: -31.914695 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -9.287 flat angles P-C4'-P energy: -4.490 tors. eta vs tors. theta energy: -4.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -38.144736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.144736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.144736 (E_RNA) where: Base-Base interactions energy: -12.100 where: short stacking energy: -7.193 Base-Backbone interact. energy: -0.066 local terms energy: -25.978518 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -5.994 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -0.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -62.282468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.282468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.282468 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -20.918 Base-Backbone interact. energy: -0.001 local terms energy: -30.792659 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -6.478 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -64.382785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.382785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.382785 (E_RNA) where: Base-Base interactions energy: -29.339 where: short stacking energy: -29.339 Base-Backbone interact. energy: -0.000 local terms energy: -35.044140 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.292 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.256 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: 3, replica: 3 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -45.143430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143430 (E_RNA) where: Base-Base interactions energy: -18.809 where: short stacking energy: -14.399 Base-Backbone interact. energy: -0.002 local terms energy: -26.332737 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.235 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -3.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -61.808157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.808157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.808157 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.000 local terms energy: -33.938937 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.225 tors. eta vs tors. theta energy: -6.718 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: 9 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -63.684573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.684573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.684573 (E_RNA) where: Base-Base interactions energy: -24.378 where: short stacking energy: -24.378 Base-Backbone interact. energy: -0.000 local terms energy: -39.306553 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -5.693 tors. eta vs tors. theta energy: -9.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -55.526357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.526357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.526357 (E_RNA) where: Base-Base interactions energy: -18.208 where: short stacking energy: -11.408 Base-Backbone interact. energy: -0.082 local terms energy: -37.235716 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -9.241 flat angles P-C4'-P energy: -7.016 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -46.055649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.055649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.055649 (E_RNA) where: Base-Base interactions energy: -14.996 where: short stacking energy: -14.996 Base-Backbone interact. energy: -0.015 local terms energy: -31.044426 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -3.756 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: 8, replica: 5 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -44.379499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.379499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.379499 (E_RNA) where: Base-Base interactions energy: -17.646 where: short stacking energy: -13.720 Base-Backbone interact. energy: -0.006 local terms energy: -26.727563 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: 0.028 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: 269 Temperature: 1.300000 Total energy: -44.354242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.354242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.354242 (E_RNA) where: Base-Base interactions energy: -15.355 where: short stacking energy: -15.355 Base-Backbone interact. energy: -0.102 local terms energy: -28.897683 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.800 flat angles P-C4'-P energy: -5.018 tors. eta vs tors. theta energy: -4.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -39.828192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.828192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.828192 (E_RNA) where: Base-Base interactions energy: -16.268 where: short stacking energy: -8.281 Base-Backbone interact. energy: -0.134 local terms energy: -23.426051 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -0.181 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: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -68.084138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.084138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.084138 (E_RNA) where: Base-Base interactions energy: -28.887 where: short stacking energy: -28.887 Base-Backbone interact. energy: -0.000 local terms energy: -39.197171 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -9.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -69.837402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.837402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.837402 (E_RNA) where: Base-Base interactions energy: -35.895 where: short stacking energy: -28.780 Base-Backbone interact. energy: -0.001 local terms energy: -33.941632 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -7.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -59.737810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.737810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.737810 (E_RNA) where: Base-Base interactions energy: -25.664 where: short stacking energy: -25.664 Base-Backbone interact. energy: -0.006 local terms energy: -34.068159 where: bonds (distance) C4'-P energy: -3.585 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -5.868 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: 3 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -58.960419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.960419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.960419 (E_RNA) where: Base-Base interactions energy: -31.830 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.002 local terms energy: -27.128497 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -60.550976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.550976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.550976 (E_RNA) where: Base-Base interactions energy: -27.527 where: short stacking energy: -27.527 Base-Backbone interact. energy: -0.001 local terms energy: -33.022986 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.845 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: 9 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -64.553852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.553852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.553852 (E_RNA) where: Base-Base interactions energy: -29.388 where: short stacking energy: -29.388 Base-Backbone interact. energy: -0.000 local terms energy: -35.166020 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -2.241 tors. eta vs tors. theta energy: -8.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -49.671431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.671431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.671431 (E_RNA) where: Base-Base interactions energy: -16.531 where: short stacking energy: -16.531 Base-Backbone interact. energy: -0.003 local terms energy: -33.137643 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -5.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -38.401451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.401451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.401451 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -11.883 Base-Backbone interact. energy: -0.023 local terms energy: -25.318738 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: 1.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -38.574825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.574825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.574825 (E_RNA) where: Base-Base interactions energy: -13.421 where: short stacking energy: -11.170 Base-Backbone interact. energy: -0.010 local terms energy: -25.143273 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -3.157 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: -2.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -47.072162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.072162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.072162 (E_RNA) where: Base-Base interactions energy: -20.780 where: short stacking energy: -5.954 Base-Backbone interact. energy: -0.806 local terms energy: -25.486087 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.225 flat angles P-C4'-P energy: -2.990 tors. eta vs tors. theta energy: -0.732 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: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -68.575362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.575362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.575362 (E_RNA) where: Base-Base interactions energy: -31.609 where: short stacking energy: -31.609 Base-Backbone interact. energy: -0.001 local terms energy: -36.965906 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -5.502 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: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -47.933556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.933556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.933556 (E_RNA) where: Base-Base interactions energy: -19.336 where: short stacking energy: -19.336 Base-Backbone interact. energy: -0.017 local terms energy: -28.580286 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -63.093264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.093264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.093264 (E_RNA) where: Base-Base interactions energy: -28.978 where: short stacking energy: -28.978 Base-Backbone interact. energy: -0.000 local terms energy: -34.115413 where: bonds (distance) C4'-P energy: -5.941 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -7.249 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: 3 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -66.284648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.284648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.284648 (E_RNA) where: Base-Base interactions energy: -33.658 where: short stacking energy: -22.504 Base-Backbone interact. energy: -0.059 local terms energy: -32.568440 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -1.686 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: 5, replica: 8 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -54.167563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.167563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.167563 (E_RNA) where: Base-Base interactions energy: -20.464 where: short stacking energy: -20.464 Base-Backbone interact. energy: -0.001 local terms energy: -33.702592 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -6.313 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: 6, replica: 5 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -46.342044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.342044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.342044 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.011 Base-Backbone interact. energy: -0.021 local terms energy: -31.024066 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -5.261 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: 7, replica: 9 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -45.448463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.448463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.448463 (E_RNA) where: Base-Base interactions energy: -20.087 where: short stacking energy: -20.087 Base-Backbone interact. energy: -0.003 local terms energy: -25.358267 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -2.405 tors. eta vs tors. theta energy: -2.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -52.747717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.747717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.747717 (E_RNA) where: Base-Base interactions energy: -20.483 where: short stacking energy: -18.109 Base-Backbone interact. energy: -0.022 local terms energy: -32.242536 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -3.362 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: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -41.714232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.714232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.714232 (E_RNA) where: Base-Base interactions energy: -21.381 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.005 local terms energy: -20.327803 where: bonds (distance) C4'-P energy: -6.426 bonds (distance) P-C4' energy: -5.020 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -0.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -38.867427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.867427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.867427 (E_RNA) where: Base-Base interactions energy: -11.111 where: short stacking energy: -11.111 Base-Backbone interact. energy: -0.285 local terms energy: -27.471718 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -2.482 tors. eta vs tors. theta energy: -0.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -73.383311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.383311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.383311 (E_RNA) where: Base-Base interactions energy: -36.327 where: short stacking energy: -20.492 Base-Backbone interact. energy: -0.168 local terms energy: -36.889169 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -5.306 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: 2, replica: 4 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -64.879460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.879460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.879460 (E_RNA) where: Base-Base interactions energy: -28.123 where: short stacking energy: -28.123 Base-Backbone interact. energy: -0.000 local terms energy: -36.756267 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.589 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: 1 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -61.374039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.374039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.374039 (E_RNA) where: Base-Base interactions energy: -31.325 where: short stacking energy: -21.436 Base-Backbone interact. energy: -0.075 local terms energy: -29.973751 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.605 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -51.185683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.185683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.185683 (E_RNA) where: Base-Base interactions energy: -22.677 where: short stacking energy: -18.325 Base-Backbone interact. energy: 1.512 local terms energy: -30.020591 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.107 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -3.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -61.760109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.760109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.760109 (E_RNA) where: Base-Base interactions energy: -31.339 where: short stacking energy: -18.339 Base-Backbone interact. energy: -0.008 local terms energy: -30.413002 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -5.132 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: 6, replica: 8 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -49.613240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.613240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.613240 (E_RNA) where: Base-Base interactions energy: -13.920 where: short stacking energy: -13.920 Base-Backbone interact. energy: -0.114 local terms energy: -35.579148 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.926 flat angles P-C4'-P energy: -6.039 tors. eta vs tors. theta energy: -3.060 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: 9 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -50.983611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.983611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.983611 (E_RNA) where: Base-Base interactions energy: -24.992 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.003 local terms energy: -25.988409 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -5.445 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -3.262 tors. eta vs tors. theta energy: -3.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -46.053516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.053516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.053516 (E_RNA) where: Base-Base interactions energy: -14.466 where: short stacking energy: -14.466 Base-Backbone interact. energy: -0.013 local terms energy: -31.574608 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -5.268 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: 2 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -45.836301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.836301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.836301 (E_RNA) where: Base-Base interactions energy: -15.275 where: short stacking energy: -14.430 Base-Backbone interact. energy: -0.094 local terms energy: -30.467252 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.607 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.426 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: 7 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -40.835564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.835564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.835564 (E_RNA) where: Base-Base interactions energy: -8.987 where: short stacking energy: -8.359 Base-Backbone interact. energy: -0.563 local terms energy: -31.286405 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.785 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.958 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: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -67.768845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.768845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.768845 (E_RNA) where: Base-Base interactions energy: -39.659 where: short stacking energy: -19.949 Base-Backbone interact. energy: -0.010 local terms energy: -28.100645 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -3.569 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: 2, replica: 1 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -56.345206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.345206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.345206 (E_RNA) where: Base-Base interactions energy: -24.072 where: short stacking energy: -24.072 Base-Backbone interact. energy: -0.000 local terms energy: -32.272674 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -4.790 flat angles C4'-P-C4' energy: -9.290 flat angles P-C4'-P energy: -4.557 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: 3, replica: 4 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -53.529319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.529319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.529319 (E_RNA) where: Base-Base interactions energy: -17.915 where: short stacking energy: -17.915 Base-Backbone interact. energy: -0.090 local terms energy: -35.523827 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -3.138 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: 3 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -56.761839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.761839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.761839 (E_RNA) where: Base-Base interactions energy: -24.977 where: short stacking energy: -22.935 Base-Backbone interact. energy: -0.008 local terms energy: -31.777560 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.938 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -6.900 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -52.614194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.614194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.614194 (E_RNA) where: Base-Base interactions energy: -26.321 where: short stacking energy: -17.282 Base-Backbone interact. energy: -0.048 local terms energy: -26.245364 where: bonds (distance) C4'-P energy: -5.146 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -2.511 tors. eta vs tors. theta energy: -1.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -54.308257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.308257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.308257 (E_RNA) where: Base-Base interactions energy: -26.635 where: short stacking energy: -26.635 Base-Backbone interact. energy: -0.114 local terms energy: -27.559430 where: bonds (distance) C4'-P energy: -6.491 bonds (distance) P-C4' energy: -3.736 flat angles C4'-P-C4' energy: -8.114 flat angles P-C4'-P energy: -2.609 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: 7, replica: 8 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -45.886941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.886941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.886941 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -13.634 Base-Backbone interact. energy: -0.024 local terms energy: -28.936402 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -5.809 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -5.402 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: 8, replica: 10 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -51.219620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.219620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.219620 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -19.210 Base-Backbone interact. energy: -0.013 local terms energy: -32.196885 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -3.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -46.723960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.723960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.723960 (E_RNA) where: Base-Base interactions energy: -15.539 where: short stacking energy: -13.499 Base-Backbone interact. energy: -0.016 local terms energy: -31.169008 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.757 flat angles P-C4'-P energy: -5.753 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: 7 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -45.581435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.581435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.581435 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -19.628 Base-Backbone interact. energy: -0.009 local terms energy: -25.944089 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.467 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -76.307962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.307962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.307962 (E_RNA) where: Base-Base interactions energy: -44.855 where: short stacking energy: -27.316 Base-Backbone interact. energy: -0.001 local terms energy: -31.451576 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -5.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -68.209817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.209817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.209817 (E_RNA) where: Base-Base interactions energy: -33.257 where: short stacking energy: -32.221 Base-Backbone interact. energy: -0.007 local terms energy: -34.945477 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -6.202 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -58.948431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.948431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.948431 (E_RNA) where: Base-Base interactions energy: -31.007 where: short stacking energy: -17.430 Base-Backbone interact. energy: -0.042 local terms energy: -27.899668 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -3.084 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -4.488 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: 4 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -55.116827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.116827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.116827 (E_RNA) where: Base-Base interactions energy: -25.323 where: short stacking energy: -25.323 Base-Backbone interact. energy: -0.001 local terms energy: -29.793320 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -4.765 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.150 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: 5, replica: 9 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -60.500444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.500444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.500444 (E_RNA) where: Base-Base interactions energy: -28.571 where: short stacking energy: -20.933 Base-Backbone interact. energy: -0.037 local terms energy: -31.892324 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -5.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -49.993350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993350 (E_RNA) where: Base-Base interactions energy: -18.460 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.024 local terms energy: -31.509309 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -5.477 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: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -59.591245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.591245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.591245 (E_RNA) where: Base-Base interactions energy: -33.591 where: short stacking energy: -15.928 Base-Backbone interact. energy: -0.003 local terms energy: -25.997393 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -3.531 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -2.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -44.565870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.565870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.565870 (E_RNA) where: Base-Base interactions energy: -19.132 where: short stacking energy: -19.132 Base-Backbone interact. energy: 1.112 local terms energy: -26.545794 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -42.579285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.579285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.579285 (E_RNA) where: Base-Base interactions energy: -15.210 where: short stacking energy: -13.971 Base-Backbone interact. energy: -3.358 local terms energy: -24.011221 where: bonds (distance) C4'-P energy: -5.957 bonds (distance) P-C4' energy: -6.262 flat angles C4'-P-C4' energy: -3.385 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -42.045799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.045799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.045799 (E_RNA) where: Base-Base interactions energy: -21.615 where: short stacking energy: -8.703 Base-Backbone interact. energy: -0.484 local terms energy: -19.946189 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -5.162 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: 1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -71.300564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.300564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.300564 (E_RNA) where: Base-Base interactions energy: -37.587 where: short stacking energy: -26.139 Base-Backbone interact. energy: 0.558 local terms energy: -34.271768 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -8.851 flat angles P-C4'-P energy: -6.164 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: 2, replica: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -55.220794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.220794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.220794 (E_RNA) where: Base-Base interactions energy: -24.607 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.398 local terms energy: -30.215388 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -65.528365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.528365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.528365 (E_RNA) where: Base-Base interactions energy: -31.007 where: short stacking energy: -31.007 Base-Backbone interact. energy: -0.001 local terms energy: -34.520061 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -7.029 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: 4, replica: 9 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -65.297327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.297327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.297327 (E_RNA) where: Base-Base interactions energy: -27.130 where: short stacking energy: -27.130 Base-Backbone interact. energy: -0.000 local terms energy: -38.167573 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -8.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -50.764586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.764586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.764586 (E_RNA) where: Base-Base interactions energy: -19.167 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.036 local terms energy: -31.561768 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -5.008 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: 6, replica: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -50.703635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.703635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.703635 (E_RNA) where: Base-Base interactions energy: -24.162 where: short stacking energy: -22.106 Base-Backbone interact. energy: 0.983 local terms energy: -27.523887 where: bonds (distance) C4'-P energy: -5.120 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -1.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -45.756646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.756646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.756646 (E_RNA) where: Base-Base interactions energy: -17.130 where: short stacking energy: -17.130 Base-Backbone interact. energy: -0.090 local terms energy: -28.536953 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -5.588 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: 8, replica: 7 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -44.695541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.695541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.695541 (E_RNA) where: Base-Base interactions energy: -14.166 where: short stacking energy: -14.166 Base-Backbone interact. energy: -0.005 local terms energy: -30.524861 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -5.435 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -39.119845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.119845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.119845 (E_RNA) where: Base-Base interactions energy: -12.874 where: short stacking energy: -12.874 Base-Backbone interact. energy: -0.004 local terms energy: -26.242400 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -3.790 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -4.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -44.319604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.319604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.319604 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -15.553 Base-Backbone interact. energy: 1.000 local terms energy: -29.674587 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -6.008 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -64.730782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.730782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.730782 (E_RNA) where: Base-Base interactions energy: -29.214 where: short stacking energy: -20.754 Base-Backbone interact. energy: 0.447 local terms energy: -35.964131 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -6.437 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: 2, replica: 6 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -57.524597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.524597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.524597 (E_RNA) where: Base-Base interactions energy: -29.336 where: short stacking energy: -14.520 Base-Backbone interact. energy: -0.117 local terms energy: -28.070986 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -4.885 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: 3, replica: 9 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -56.271953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.271953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.271953 (E_RNA) where: Base-Base interactions energy: -22.192 where: short stacking energy: -22.192 Base-Backbone interact. energy: -0.048 local terms energy: -34.031128 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -5.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -56.274689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.274689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.274689 (E_RNA) where: Base-Base interactions energy: -25.555 where: short stacking energy: -24.083 Base-Backbone interact. energy: -0.068 local terms energy: -30.651755 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -3.966 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: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -55.846951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.846951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.846951 (E_RNA) where: Base-Base interactions energy: -30.716 where: short stacking energy: -18.698 Base-Backbone interact. energy: -0.055 local terms energy: -25.076553 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.311 flat angles C4'-P-C4' energy: -2.943 flat angles P-C4'-P energy: -5.271 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -60.543349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.543349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.543349 (E_RNA) where: Base-Base interactions energy: -29.271 where: short stacking energy: -29.271 Base-Backbone interact. energy: -0.032 local terms energy: -31.240293 where: bonds (distance) C4'-P energy: -3.352 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -7.589 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: 7 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -46.090572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.090572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.090572 (E_RNA) where: Base-Base interactions energy: -17.723 where: short stacking energy: -17.493 Base-Backbone interact. energy: -0.004 local terms energy: -28.362864 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -5.232 flat angles P-C4'-P energy: -5.450 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: 5 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -41.418119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.418119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.418119 (E_RNA) where: Base-Base interactions energy: -12.312 where: short stacking energy: -12.312 Base-Backbone interact. energy: -0.009 local terms energy: -29.097415 where: bonds (distance) C4'-P energy: -5.981 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -0.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -44.806912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.806912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.806912 (E_RNA) where: Base-Base interactions energy: -15.829 where: short stacking energy: -9.660 Base-Backbone interact. energy: -1.035 local terms energy: -27.942544 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: 1.401 tors. eta vs tors. theta energy: -5.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -39.612773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.612773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.612773 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -10.280 Base-Backbone interact. energy: -0.094 local terms energy: -24.685578 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -1.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -69.829979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.829979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.829979 (E_RNA) where: Base-Base interactions energy: -30.014 where: short stacking energy: -30.014 Base-Backbone interact. energy: -0.001 local terms energy: -39.815588 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.819 flat angles P-C4'-P energy: -6.007 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: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -53.129350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.129350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.129350 (E_RNA) where: Base-Base interactions energy: -23.291 where: short stacking energy: -16.239 Base-Backbone interact. energy: -0.165 local terms energy: -29.673500 where: bonds (distance) C4'-P energy: -4.677 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -56.530277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.530277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.530277 (E_RNA) where: Base-Base interactions energy: -23.184 where: short stacking energy: -23.184 Base-Backbone interact. energy: -0.095 local terms energy: -33.251312 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -4.794 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: 4, replica: 1 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -61.951715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.951715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.951715 (E_RNA) where: Base-Base interactions energy: -27.387 where: short stacking energy: -24.138 Base-Backbone interact. energy: -0.000 local terms energy: -34.564825 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.964 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: 5, replica: 10 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -57.513910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.513910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.513910 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -12.261 Base-Backbone interact. energy: -0.096 local terms energy: -29.452301 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -5.895 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -4.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -59.986823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.986823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.986823 (E_RNA) where: Base-Base interactions energy: -26.285 where: short stacking energy: -26.285 Base-Backbone interact. energy: -0.000 local terms energy: -33.701791 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -6.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -58.343626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.343626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.343626 (E_RNA) where: Base-Base interactions energy: -26.377 where: short stacking energy: -26.377 Base-Backbone interact. energy: -0.002 local terms energy: -31.964604 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -5.324 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: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -44.242341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.242341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.242341 (E_RNA) where: Base-Base interactions energy: -16.439 where: short stacking energy: -15.701 Base-Backbone interact. energy: -0.266 local terms energy: -27.537534 where: bonds (distance) C4'-P energy: -7.030 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -2.671 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: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -42.220722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.220722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.220722 (E_RNA) where: Base-Base interactions energy: -13.939 where: short stacking energy: -13.939 Base-Backbone interact. energy: -0.004 local terms energy: -28.277568 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -0.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -42.967177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.967177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.967177 (E_RNA) where: Base-Base interactions energy: -20.684 where: short stacking energy: -20.684 Base-Backbone interact. energy: -0.081 local terms energy: -22.201808 where: bonds (distance) C4'-P energy: -2.897 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -5.463 tors. eta vs tors. theta energy: -2.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -64.448900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.448900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.448900 (E_RNA) where: Base-Base interactions energy: -33.064 where: short stacking energy: -24.537 Base-Backbone interact. energy: -0.012 local terms energy: -31.373359 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -5.390 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: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -58.060599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.060599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.060599 (E_RNA) where: Base-Base interactions energy: -27.263 where: short stacking energy: -27.263 Base-Backbone interact. energy: -0.092 local terms energy: -30.705946 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.488 flat angles P-C4'-P energy: -3.650 tors. eta vs tors. theta energy: -6.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -65.440271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.440271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.440271 (E_RNA) where: Base-Base interactions energy: -32.552 where: short stacking energy: -32.552 Base-Backbone interact. energy: -0.000 local terms energy: -32.887701 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -3.277 tors. eta vs tors. theta energy: -6.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -54.167727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.167727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.167727 (E_RNA) where: Base-Base interactions energy: -18.371 where: short stacking energy: -11.569 Base-Backbone interact. energy: -0.041 local terms energy: -35.756543 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.507 flat angles P-C4'-P energy: -6.038 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: 4 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -56.447696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.447696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.447696 (E_RNA) where: Base-Base interactions energy: -23.737 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.005 local terms energy: -32.705791 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.591 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -49.479666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.479666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.479666 (E_RNA) where: Base-Base interactions energy: -16.397 where: short stacking energy: -16.397 Base-Backbone interact. energy: -0.256 local terms energy: -32.826455 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -45.474470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.474470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.474470 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.063 Base-Backbone interact. energy: -0.147 local terms energy: -30.847992 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -4.104 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: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -43.177436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.177436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.177436 (E_RNA) where: Base-Base interactions energy: -13.088 where: short stacking energy: -13.088 Base-Backbone interact. energy: -0.068 local terms energy: -30.020894 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -3.792 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: 9, replica: 8 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -44.065132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.065132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.065132 (E_RNA) where: Base-Base interactions energy: -13.778 where: short stacking energy: -13.778 Base-Backbone interact. energy: 0.834 local terms energy: -31.121156 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.420 flat angles P-C4'-P energy: -3.882 tors. eta vs tors. theta energy: -3.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -39.247520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247520 (E_RNA) where: Base-Base interactions energy: -12.728 where: short stacking energy: -12.961 Base-Backbone interact. energy: -0.000 local terms energy: -26.519724 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -1.374 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: 9 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -77.711838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.711838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.711838 (E_RNA) where: Base-Base interactions energy: -38.622 where: short stacking energy: -30.862 Base-Backbone interact. energy: -0.001 local terms energy: -39.088906 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -7.676 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: 2, replica: 1 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -66.654383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.654383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.654383 (E_RNA) where: Base-Base interactions energy: -32.336 where: short stacking energy: -21.741 Base-Backbone interact. energy: -0.003 local terms energy: -34.315875 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -5.796 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: 3, replica: 3 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -58.061475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.061475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.061475 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.001 local terms energy: -31.442461 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -3.018 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -6.083 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: 4, replica: 4 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -67.131956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.131956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.131956 (E_RNA) where: Base-Base interactions energy: -23.819 where: short stacking energy: -23.819 Base-Backbone interact. energy: -0.000 local terms energy: -43.312578 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.759 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -10.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -46.732856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.732856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.732856 (E_RNA) where: Base-Base interactions energy: -21.042 where: short stacking energy: -21.042 Base-Backbone interact. energy: -0.002 local terms energy: -25.688952 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -5.075 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -4.015 tors. eta vs tors. theta energy: -4.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -54.246854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.246854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.246854 (E_RNA) where: Base-Base interactions energy: -23.169 where: short stacking energy: -23.169 Base-Backbone interact. energy: -0.508 local terms energy: -30.570309 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -5.834 tors. eta vs tors. theta energy: -3.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -43.728925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.728925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.728925 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -10.254 Base-Backbone interact. energy: -0.811 local terms energy: -29.635946 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -6.361 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -44.719914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.719914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.719914 (E_RNA) where: Base-Base interactions energy: -18.621 where: short stacking energy: -16.480 Base-Backbone interact. energy: -0.002 local terms energy: -26.096654 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -4.538 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -1.456 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: 279 Temperature: 1.300000 Total energy: -47.510001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.510001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.510001 (E_RNA) where: Base-Base interactions energy: -18.408 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.007 local terms energy: -29.095207 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -5.174 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: 10, replica: 5 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -48.406174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.406174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.406174 (E_RNA) where: Base-Base interactions energy: -17.407 where: short stacking energy: -17.407 Base-Backbone interact. energy: -0.002 local terms energy: -30.996767 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -3.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -80.779710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.779710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.779710 (E_RNA) where: Base-Base interactions energy: -44.721 where: short stacking energy: -22.420 Base-Backbone interact. energy: 0.078 local terms energy: -36.135849 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.947 flat angles P-C4'-P energy: -7.179 tors. eta vs tors. theta energy: -5.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -58.746218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.746218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.746218 (E_RNA) where: Base-Base interactions energy: -23.757 where: short stacking energy: -23.479 Base-Backbone interact. energy: -0.098 local terms energy: -34.891178 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -4.991 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: 3, replica: 4 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -58.005914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.005914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.005914 (E_RNA) where: Base-Base interactions energy: -27.298 where: short stacking energy: -18.079 Base-Backbone interact. energy: -0.080 local terms energy: -30.628208 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.478 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: 4, replica: 3 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -49.959075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.959075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.959075 (E_RNA) where: Base-Base interactions energy: -22.990 where: short stacking energy: -15.633 Base-Backbone interact. energy: -0.000 local terms energy: -26.968853 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -3.869 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: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -53.320807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.320807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.320807 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.001 local terms energy: -31.917437 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -5.234 flat angles C4'-P-C4' energy: -6.607 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -5.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -50.360580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.360580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.360580 (E_RNA) where: Base-Base interactions energy: -21.085 where: short stacking energy: -18.434 Base-Backbone interact. energy: -0.169 local terms energy: -29.106799 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -6.322 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: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -48.448356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.448356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.448356 (E_RNA) where: Base-Base interactions energy: -17.924 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.002 local terms energy: -30.522001 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -4.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -45.864562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.864562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.864562 (E_RNA) where: Base-Base interactions energy: -20.823 where: short stacking energy: -18.062 Base-Backbone interact. energy: -0.001 local terms energy: -25.040674 where: bonds (distance) C4'-P energy: -7.194 bonds (distance) P-C4' energy: -5.395 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -3.918 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -40.402016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.402016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.402016 (E_RNA) where: Base-Base interactions energy: -13.079 where: short stacking energy: -13.079 Base-Backbone interact. energy: -0.034 local terms energy: -27.288967 where: bonds (distance) C4'-P energy: -3.374 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -8.967 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: 0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -47.137638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.137638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.137638 (E_RNA) where: Base-Base interactions energy: -18.114 where: short stacking energy: -17.965 Base-Backbone interact. energy: -0.001 local terms energy: -29.022404 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -2.981 tors. eta vs tors. theta energy: -4.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -81.901331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.901331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.901331 (E_RNA) where: Base-Base interactions energy: -50.233 where: short stacking energy: -33.496 Base-Backbone interact. energy: 0.114 local terms energy: -31.782583 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -7.603 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -6.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -71.256795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.256795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.256795 (E_RNA) where: Base-Base interactions energy: -32.286 where: short stacking energy: -32.286 Base-Backbone interact. energy: -0.000 local terms energy: -38.970810 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -55.104630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.104630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.104630 (E_RNA) where: Base-Base interactions energy: -23.349 where: short stacking energy: -20.656 Base-Backbone interact. energy: -0.032 local terms energy: -31.723260 where: bonds (distance) C4'-P energy: -5.510 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.001 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -54.818501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.818501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.818501 (E_RNA) where: Base-Base interactions energy: -18.710 where: short stacking energy: -18.710 Base-Backbone interact. energy: -0.053 local terms energy: -36.055415 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -6.384 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: 3 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -51.203989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.203989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.203989 (E_RNA) where: Base-Base interactions energy: -23.780 where: short stacking energy: -19.626 Base-Backbone interact. energy: -0.069 local terms energy: -27.354972 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -4.886 flat angles C4'-P-C4' energy: -7.812 flat angles P-C4'-P energy: -3.455 tors. eta vs tors. theta energy: -3.399 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: 8 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -55.458280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.458280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.458280 (E_RNA) where: Base-Base interactions energy: -26.185 where: short stacking energy: -26.185 Base-Backbone interact. energy: -0.005 local terms energy: -29.267923 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: 1.092 tors. eta vs tors. theta energy: -9.229 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: 7, replica: 6 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -41.992031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.992031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.992031 (E_RNA) where: Base-Base interactions energy: -15.682 where: short stacking energy: -15.682 Base-Backbone interact. energy: -0.002 local terms energy: -26.308082 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -3.586 tors. eta vs tors. theta energy: -2.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -45.768885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.768885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.768885 (E_RNA) where: Base-Base interactions energy: -25.301 where: short stacking energy: -16.815 Base-Backbone interact. energy: -0.318 local terms energy: -20.150073 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -6.840 flat angles C4'-P-C4' energy: -4.831 flat angles P-C4'-P energy: -2.739 tors. eta vs tors. theta energy: -0.479 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: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -47.673411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.673411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.673411 (E_RNA) where: Base-Base interactions energy: -14.762 where: short stacking energy: -14.762 Base-Backbone interact. energy: -0.000 local terms energy: -32.911451 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -5.973 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: 281 Temperature: 1.350000 Total energy: -48.624798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.624798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.624798 (E_RNA) where: Base-Base interactions energy: -19.366 where: short stacking energy: -16.490 Base-Backbone interact. energy: -0.026 local terms energy: -29.232471 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -4.920 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: 282 Temperature: 0.900000 Total energy: -69.034735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.034735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.034735 (E_RNA) where: Base-Base interactions energy: -30.738 where: short stacking energy: -25.670 Base-Backbone interact. energy: -0.000 local terms energy: -38.295965 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -8.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -82.754274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.754274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.754274 (E_RNA) where: Base-Base interactions energy: -48.810 where: short stacking energy: -24.022 Base-Backbone interact. energy: -0.255 local terms energy: -33.689227 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -55.634623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.634623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.634623 (E_RNA) where: Base-Base interactions energy: -25.578 where: short stacking energy: -25.230 Base-Backbone interact. energy: -0.005 local terms energy: -30.051670 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -6.568 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -4.658 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: 4, replica: 2 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -59.773627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.773627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.773627 (E_RNA) where: Base-Base interactions energy: -23.995 where: short stacking energy: -23.995 Base-Backbone interact. energy: -0.098 local terms energy: -35.680539 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.915 tors. eta vs tors. theta energy: -7.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -51.179921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.179921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.179921 (E_RNA) where: Base-Base interactions energy: -21.333 where: short stacking energy: -21.333 Base-Backbone interact. energy: 0.248 local terms energy: -30.094758 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -1.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -51.375331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.375331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.375331 (E_RNA) where: Base-Base interactions energy: -25.260 where: short stacking energy: -11.876 Base-Backbone interact. energy: -0.132 local terms energy: -25.983737 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: 1.093 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: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -49.876215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.876215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.876215 (E_RNA) where: Base-Base interactions energy: -23.869 where: short stacking energy: -16.545 Base-Backbone interact. energy: -0.000 local terms energy: -26.006683 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -1.095 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -8.221 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: 6 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -52.255449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.255449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.255449 (E_RNA) where: Base-Base interactions energy: -18.572 where: short stacking energy: -18.572 Base-Backbone interact. energy: -0.030 local terms energy: -33.653562 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -4.639 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: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -52.239367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.239367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.239367 (E_RNA) where: Base-Base interactions energy: -20.424 where: short stacking energy: -20.424 Base-Backbone interact. energy: -0.000 local terms energy: -31.815378 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.367 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -42.010823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.010823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.010823 (E_RNA) where: Base-Base interactions energy: -16.485 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.012 local terms energy: -25.513699 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -5.288 flat angles P-C4'-P energy: -3.343 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -61.789875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.789875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.789875 (E_RNA) where: Base-Base interactions energy: -29.886 where: short stacking energy: -23.159 Base-Backbone interact. energy: -0.005 local terms energy: -31.898645 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -4.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -80.158391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.158391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.158391 (E_RNA) where: Base-Base interactions energy: -45.462 where: short stacking energy: -17.803 Base-Backbone interact. energy: -0.598 local terms energy: -34.098554 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.045 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: -5.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -68.138478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.138478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.138478 (E_RNA) where: Base-Base interactions energy: -36.257 where: short stacking energy: -21.477 Base-Backbone interact. energy: -3.104 local terms energy: -28.777645 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.089 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -3.419 tors. eta vs tors. theta energy: -3.772 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -53.291025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.291025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.291025 (E_RNA) where: Base-Base interactions energy: -22.516 where: short stacking energy: -22.516 Base-Backbone interact. energy: -0.002 local terms energy: -30.772988 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -6.238 flat angles P-C4'-P energy: -4.851 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: 5, replica: 2 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -50.905122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.905122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.905122 (E_RNA) where: Base-Base interactions energy: -20.238 where: short stacking energy: -20.238 Base-Backbone interact. energy: -0.068 local terms energy: -30.599557 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.808 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: 6, replica: 5 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -56.538661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.538661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.538661 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -24.174 Base-Backbone interact. energy: -0.229 local terms energy: -31.057412 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -3.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -51.097893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.097893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.097893 (E_RNA) where: Base-Base interactions energy: -21.236 where: short stacking energy: -19.054 Base-Backbone interact. energy: -0.000 local terms energy: -29.861820 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -4.847 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: 8, replica: 6 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -56.979612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.979612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.979612 (E_RNA) where: Base-Base interactions energy: -19.622 where: short stacking energy: -18.544 Base-Backbone interact. energy: -0.086 local terms energy: -37.271491 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -6.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -39.316641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.316641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.316641 (E_RNA) where: Base-Base interactions energy: -12.737 where: short stacking energy: -3.474 Base-Backbone interact. energy: -0.017 local terms energy: -26.562614 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.977 flat angles P-C4'-P energy: -2.772 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: 10, replica: 10 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -43.530543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.530543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.530543 (E_RNA) where: Base-Base interactions energy: -14.653 where: short stacking energy: -14.609 Base-Backbone interact. energy: -0.048 local terms energy: -28.829566 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -2.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -83.708752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708752 (E_RNA) where: Base-Base interactions energy: -46.744 where: short stacking energy: -27.534 Base-Backbone interact. energy: -0.009 local terms energy: -36.955973 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -8.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -65.443951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.443951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.443951 (E_RNA) where: Base-Base interactions energy: -28.408 where: short stacking energy: -28.408 Base-Backbone interact. energy: -0.002 local terms energy: -37.034372 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -7.131 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -7.663 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: 3, replica: 9 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -69.345315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.345315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.345315 (E_RNA) where: Base-Base interactions energy: -32.727 where: short stacking energy: -32.727 Base-Backbone interact. energy: -0.000 local terms energy: -36.618562 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -9.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -57.167420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.167420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.167420 (E_RNA) where: Base-Base interactions energy: -22.000 where: short stacking energy: -22.000 Base-Backbone interact. energy: -0.000 local terms energy: -35.166996 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -5.550 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -51.411283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.411283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.411283 (E_RNA) where: Base-Base interactions energy: -13.521 where: short stacking energy: -13.521 Base-Backbone interact. energy: -0.050 local terms energy: -37.839674 where: bonds (distance) C4'-P energy: -8.060 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -9.344 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -4.783 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: 2 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -50.165313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.165313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.165313 (E_RNA) where: Base-Base interactions energy: -19.549 where: short stacking energy: -18.593 Base-Backbone interact. energy: -0.081 local terms energy: -30.535217 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.252 flat angles P-C4'-P energy: -5.611 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: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -48.547495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.547495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.547495 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.000 local terms energy: -32.283999 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.075 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: 8, replica: 3 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -47.280435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.280435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.280435 (E_RNA) where: Base-Base interactions energy: -16.372 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.000 local terms energy: -30.908617 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -3.673 tors. eta vs tors. theta energy: -2.740 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: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -42.446027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.446027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.446027 (E_RNA) where: Base-Base interactions energy: -15.724 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.140 local terms energy: -26.582789 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -51.825677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.825677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.825677 (E_RNA) where: Base-Base interactions energy: -23.361 where: short stacking energy: -23.361 Base-Backbone interact. energy: -0.016 local terms energy: -28.448365 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.151 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -4.045 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -80.822012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.822012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.822012 (E_RNA) where: Base-Base interactions energy: -44.878 where: short stacking energy: -28.333 Base-Backbone interact. energy: -0.000 local terms energy: -35.943659 where: bonds (distance) C4'-P energy: -6.664 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -4.889 tors. eta vs tors. theta energy: -6.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -61.087516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.087516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.087516 (E_RNA) where: Base-Base interactions energy: -25.311 where: short stacking energy: -25.311 Base-Backbone interact. energy: -0.000 local terms energy: -35.776123 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -9.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -68.474300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.474300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.474300 (E_RNA) where: Base-Base interactions energy: -30.607 where: short stacking energy: -30.607 Base-Backbone interact. energy: -0.000 local terms energy: -37.867267 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -6.179 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: 4, replica: 5 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -59.403873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.403873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.403873 (E_RNA) where: Base-Base interactions energy: -24.187 where: short stacking energy: -24.187 Base-Backbone interact. energy: -0.000 local terms energy: -35.217159 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -5.149 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: 5, replica: 8 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -63.049130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.049130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.049130 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -24.302 Base-Backbone interact. energy: -0.000 local terms energy: -36.050681 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.265 tors. eta vs tors. theta energy: -9.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -54.375978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.375978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.375978 (E_RNA) where: Base-Base interactions energy: -20.851 where: short stacking energy: -19.537 Base-Backbone interact. energy: -0.041 local terms energy: -33.484024 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.986 flat angles P-C4'-P energy: -4.551 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: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -45.498370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.498370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.498370 (E_RNA) where: Base-Base interactions energy: -14.133 where: short stacking energy: -14.133 Base-Backbone interact. energy: -0.003 local terms energy: -31.363061 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -5.425 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: 8, replica: 3 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -48.081422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.081422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.081422 (E_RNA) where: Base-Base interactions energy: -22.241 where: short stacking energy: -13.180 Base-Backbone interact. energy: -0.007 local terms energy: -25.833078 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: 0.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -41.032673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.032673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.032673 (E_RNA) where: Base-Base interactions energy: -14.897 where: short stacking energy: -14.897 Base-Backbone interact. energy: -0.121 local terms energy: -26.014454 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.477 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: 10, replica: 7 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -42.387394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.387394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.387394 (E_RNA) where: Base-Base interactions energy: -17.442 where: short stacking energy: -17.189 Base-Backbone interact. energy: -0.017 local terms energy: -24.927828 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -0.524 tors. eta vs tors. theta energy: -3.316 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: 286 Temperature: 0.900000 Total energy: -81.693019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.693019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.693019 (E_RNA) where: Base-Base interactions energy: -48.591 where: short stacking energy: -28.496 Base-Backbone interact. energy: -0.001 local terms energy: -33.101498 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -7.410 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -5.561 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: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -61.247604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.247604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.247604 (E_RNA) where: Base-Base interactions energy: -24.212 where: short stacking energy: -22.773 Base-Backbone interact. energy: -0.000 local terms energy: -37.035189 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -3.884 tors. eta vs tors. theta energy: -9.235 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: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -68.356913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.356913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.356913 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.000 local terms energy: -40.340338 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -4.519 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: 1 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -54.472387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.472387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.472387 (E_RNA) where: Base-Base interactions energy: -22.030 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.001 local terms energy: -32.441844 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -6.702 tors. eta vs tors. theta energy: -1.554 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: 5, replica: 8 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -51.872700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.872700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.872700 (E_RNA) where: Base-Base interactions energy: -20.711 where: short stacking energy: -15.707 Base-Backbone interact. energy: -0.004 local terms energy: -31.157430 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -3.019 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: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -45.322859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.322859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.322859 (E_RNA) where: Base-Base interactions energy: -18.173 where: short stacking energy: -12.083 Base-Backbone interact. energy: -0.022 local terms energy: -27.127232 where: bonds (distance) C4'-P energy: -7.683 bonds (distance) P-C4' energy: -5.005 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -0.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -46.452336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.452336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.452336 (E_RNA) where: Base-Base interactions energy: -16.201 where: short stacking energy: -15.742 Base-Backbone interact. energy: -0.075 local terms energy: -30.176255 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -49.878947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.878947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.878947 (E_RNA) where: Base-Base interactions energy: -21.185 where: short stacking energy: -21.185 Base-Backbone interact. energy: -0.000 local terms energy: -28.693790 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -3.111 tors. eta vs tors. theta energy: -4.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -38.954411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.954411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.954411 (E_RNA) where: Base-Base interactions energy: -14.715 where: short stacking energy: -12.588 Base-Backbone interact. energy: -0.221 local terms energy: -24.017750 where: bonds (distance) C4'-P energy: -3.121 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: 1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -42.241710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.241710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.241710 (E_RNA) where: Base-Base interactions energy: -15.685 where: short stacking energy: -15.685 Base-Backbone interact. energy: -0.004 local terms energy: -26.552703 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -3.845 tors. eta vs tors. theta energy: -3.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -79.763607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.763607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.763607 (E_RNA) where: Base-Base interactions energy: -41.822 where: short stacking energy: -26.538 Base-Backbone interact. energy: -0.001 local terms energy: -37.941466 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -4.555 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: 2, replica: 5 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -59.033204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.033204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.033204 (E_RNA) where: Base-Base interactions energy: -26.618 where: short stacking energy: -26.618 Base-Backbone interact. energy: -0.001 local terms energy: -32.414607 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -6.179 flat angles C4'-P-C4' energy: -4.623 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -64.506395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.506395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.506395 (E_RNA) where: Base-Base interactions energy: -28.793 where: short stacking energy: -23.032 Base-Backbone interact. energy: -0.000 local terms energy: -35.713103 where: bonds (distance) C4'-P energy: -5.808 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -3.937 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: 4, replica: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -49.186456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.186456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.186456 (E_RNA) where: Base-Base interactions energy: -20.283 where: short stacking energy: -20.283 Base-Backbone interact. energy: -0.002 local terms energy: -28.900928 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -1.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -51.754589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.754589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.754589 (E_RNA) where: Base-Base interactions energy: -24.732 where: short stacking energy: -19.304 Base-Backbone interact. energy: -0.027 local terms energy: -26.995545 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -2.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -55.389495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.389495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.389495 (E_RNA) where: Base-Base interactions energy: -23.515 where: short stacking energy: -16.144 Base-Backbone interact. energy: -0.000 local terms energy: -31.874782 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -3.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -46.904578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.904578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.904578 (E_RNA) where: Base-Base interactions energy: -18.997 where: short stacking energy: -18.687 Base-Backbone interact. energy: -0.139 local terms energy: -27.768617 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -3.674 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -3.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -52.429961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.429961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.429961 (E_RNA) where: Base-Base interactions energy: -23.252 where: short stacking energy: -23.252 Base-Backbone interact. energy: -0.002 local terms energy: -29.176702 where: bonds (distance) C4'-P energy: -4.375 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -3.124 tors. eta vs tors. theta energy: -8.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -42.397413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.397413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.397413 (E_RNA) where: Base-Base interactions energy: -14.775 where: short stacking energy: -7.703 Base-Backbone interact. energy: -0.059 local terms energy: -27.564182 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -5.983 flat angles P-C4'-P energy: -5.467 tors. eta vs tors. theta energy: -1.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -41.869292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.869292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.869292 (E_RNA) where: Base-Base interactions energy: -19.849 where: short stacking energy: -7.717 Base-Backbone interact. energy: -0.069 local terms energy: -21.951560 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -4.062 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: 1.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -74.949049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.949049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.949049 (E_RNA) where: Base-Base interactions energy: -45.904 where: short stacking energy: -27.630 Base-Backbone interact. energy: -0.002 local terms energy: -29.042994 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -6.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -66.952915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.952915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.952915 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -25.252 Base-Backbone interact. energy: -0.000 local terms energy: -41.701350 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -9.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -63.526698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.526698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.526698 (E_RNA) where: Base-Base interactions energy: -26.260 where: short stacking energy: -26.260 Base-Backbone interact. energy: -0.003 local terms energy: -37.263114 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -8.465 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: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -57.588988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.588988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.588988 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -21.079 Base-Backbone interact. energy: -0.001 local terms energy: -36.508969 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -8.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -54.722869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.722869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.722869 (E_RNA) where: Base-Base interactions energy: -23.668 where: short stacking energy: -23.362 Base-Backbone interact. energy: 1.618 local terms energy: -32.672725 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -8.260 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -4.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -52.117927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.117927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.117927 (E_RNA) where: Base-Base interactions energy: -18.523 where: short stacking energy: -18.523 Base-Backbone interact. energy: -0.053 local terms energy: -33.542416 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -5.653 tors. eta vs tors. theta energy: -4.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -48.284021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.284021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.284021 (E_RNA) where: Base-Base interactions energy: -26.819 where: short stacking energy: -13.437 Base-Backbone interact. energy: -0.173 local terms energy: -21.292556 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -5.322 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: 0.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -50.183863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.183863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.183863 (E_RNA) where: Base-Base interactions energy: -18.422 where: short stacking energy: -17.849 Base-Backbone interact. energy: -0.001 local terms energy: -31.760536 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -3.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -40.206909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.206909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.206909 (E_RNA) where: Base-Base interactions energy: -10.905 where: short stacking energy: -10.905 Base-Backbone interact. energy: 0.869 local terms energy: -30.170801 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -6.251 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -1.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -37.700144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.700144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.700144 (E_RNA) where: Base-Base interactions energy: -12.047 where: short stacking energy: -12.047 Base-Backbone interact. energy: -0.108 local terms energy: -25.545262 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: 0.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -59.668370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.668370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.668370 (E_RNA) where: Base-Base interactions energy: -27.839 where: short stacking energy: -25.645 Base-Backbone interact. energy: -0.029 local terms energy: -31.800114 where: bonds (distance) C4'-P energy: -4.797 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -5.604 tors. eta vs tors. theta energy: -5.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -68.807176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.807176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.807176 (E_RNA) where: Base-Base interactions energy: -31.649 where: short stacking energy: -20.003 Base-Backbone interact. energy: -0.036 local terms energy: -37.122090 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.952 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -67.044035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.044035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.044035 (E_RNA) where: Base-Base interactions energy: -35.767 where: short stacking energy: -15.554 Base-Backbone interact. energy: -0.003 local terms energy: -31.274056 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -5.634 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: 4, replica: 1 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -55.490667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.490667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.490667 (E_RNA) where: Base-Base interactions energy: -23.485 where: short stacking energy: -23.485 Base-Backbone interact. energy: -0.074 local terms energy: -31.931198 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.865 tors. eta vs tors. theta energy: -6.361 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: 5, replica: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -59.557117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.557117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.557117 (E_RNA) where: Base-Base interactions energy: -23.019 where: short stacking energy: -23.019 Base-Backbone interact. energy: -0.002 local terms energy: -36.535964 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: -6.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -45.418210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.418210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.418210 (E_RNA) where: Base-Base interactions energy: -21.359 where: short stacking energy: -21.359 Base-Backbone interact. energy: -0.088 local terms energy: -23.971326 where: bonds (distance) C4'-P energy: -4.620 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.286 flat angles P-C4'-P energy: -6.540 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: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -42.646580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.646580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.646580 (E_RNA) where: Base-Base interactions energy: -17.955 where: short stacking energy: -13.192 Base-Backbone interact. energy: -0.384 local terms energy: -24.307597 where: bonds (distance) C4'-P energy: -6.334 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.642 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: 8, replica: 10 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -46.982093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.982093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.982093 (E_RNA) where: Base-Base interactions energy: -20.605 where: short stacking energy: -20.605 Base-Backbone interact. energy: -0.002 local terms energy: -26.374302 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -3.583 tors. eta vs tors. theta energy: -2.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -38.501796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.501796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.501796 (E_RNA) where: Base-Base interactions energy: -11.213 where: short stacking energy: -6.632 Base-Backbone interact. energy: -0.076 local terms energy: -27.213127 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -3.029 tors. eta vs tors. theta energy: -0.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -43.011866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.011866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.011866 (E_RNA) where: Base-Base interactions energy: -16.383 where: short stacking energy: -16.383 Base-Backbone interact. energy: -0.028 local terms energy: -26.600701 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -4.312 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: 1, replica: 5 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -76.093241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.093241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.093241 (E_RNA) where: Base-Base interactions energy: -36.615 where: short stacking energy: -29.686 Base-Backbone interact. energy: -0.000 local terms energy: -39.478589 where: bonds (distance) C4'-P energy: -8.474 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -9.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -59.273692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.273692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.273692 (E_RNA) where: Base-Base interactions energy: -23.906 where: short stacking energy: -23.906 Base-Backbone interact. energy: -0.004 local terms energy: -35.364386 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -6.331 tors. eta vs tors. theta energy: -5.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -56.426868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.426868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.426868 (E_RNA) where: Base-Base interactions energy: -22.897 where: short stacking energy: -22.897 Base-Backbone interact. energy: -0.000 local terms energy: -33.529448 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -6.671 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: 4, replica: 1 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -57.144512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.144512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.144512 (E_RNA) where: Base-Base interactions energy: -23.576 where: short stacking energy: -23.576 Base-Backbone interact. energy: -0.005 local terms energy: -33.563829 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -5.596 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: 5, replica: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -54.242502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.242502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.242502 (E_RNA) where: Base-Base interactions energy: -21.562 where: short stacking energy: -17.151 Base-Backbone interact. energy: -0.402 local terms energy: -32.278185 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -4.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -40.707114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.707114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.707114 (E_RNA) where: Base-Base interactions energy: -13.973 where: short stacking energy: -13.973 Base-Backbone interact. energy: -0.124 local terms energy: -26.609963 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -1.885 flat angles P-C4'-P energy: -4.964 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: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -53.865932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.865932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.865932 (E_RNA) where: Base-Base interactions energy: -20.315 where: short stacking energy: -20.055 Base-Backbone interact. energy: -0.000 local terms energy: -33.550130 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -4.356 tors. eta vs tors. theta energy: -6.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -53.279161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.279161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.279161 (E_RNA) where: Base-Base interactions energy: -19.070 where: short stacking energy: -19.070 Base-Backbone interact. energy: -0.000 local terms energy: -34.208717 where: bonds (distance) C4'-P energy: -5.858 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -5.608 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: 6 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -42.648962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.648962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.648962 (E_RNA) where: Base-Base interactions energy: -17.894 where: short stacking energy: -17.894 Base-Backbone interact. energy: -0.055 local terms energy: -24.699531 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -4.213 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -4.836 tors. eta vs tors. theta energy: -2.778 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: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -42.232331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.232331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.232331 (E_RNA) where: Base-Base interactions energy: -10.060 where: short stacking energy: -10.060 Base-Backbone interact. energy: -0.001 local terms energy: -32.171412 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -3.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -71.803906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.803906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.803906 (E_RNA) where: Base-Base interactions energy: -33.863 where: short stacking energy: -33.863 Base-Backbone interact. energy: -0.000 local terms energy: -37.941336 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -4.064 tors. eta vs tors. theta energy: -9.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -62.684817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.684817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.684817 (E_RNA) where: Base-Base interactions energy: -30.199 where: short stacking energy: -23.254 Base-Backbone interact. energy: -0.003 local terms energy: -32.482764 where: bonds (distance) C4'-P energy: -6.873 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -2.272 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: 9 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -61.764063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.764063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.764063 (E_RNA) where: Base-Base interactions energy: -31.711 where: short stacking energy: -20.929 Base-Backbone interact. energy: -0.441 local terms energy: -29.611827 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -3.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -71.385985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.385985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.385985 (E_RNA) where: Base-Base interactions energy: -31.715 where: short stacking energy: -26.995 Base-Backbone interact. energy: -0.000 local terms energy: -39.670741 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.006 flat angles P-C4'-P energy: -5.866 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: 5, replica: 1 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -53.324337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.324337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.324337 (E_RNA) where: Base-Base interactions energy: -23.035 where: short stacking energy: -18.689 Base-Backbone interact. energy: -0.151 local terms energy: -30.138915 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -4.582 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: 6, replica: 7 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -52.728172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.728172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.728172 (E_RNA) where: Base-Base interactions energy: -19.289 where: short stacking energy: -19.289 Base-Backbone interact. energy: -0.005 local terms energy: -33.433938 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -5.763 tors. eta vs tors. theta energy: -3.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -48.468290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.468290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.468290 (E_RNA) where: Base-Base interactions energy: -20.421 where: short stacking energy: -20.421 Base-Backbone interact. energy: -0.122 local terms energy: -27.925223 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -2.979 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -38.196448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.196448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.196448 (E_RNA) where: Base-Base interactions energy: -10.820 where: short stacking energy: -9.668 Base-Backbone interact. energy: -0.002 local terms energy: -27.374047 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -4.097 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -3.089 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: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -41.972677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.972677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.972677 (E_RNA) where: Base-Base interactions energy: -18.222 where: short stacking energy: -11.742 Base-Backbone interact. energy: 0.342 local terms energy: -24.093039 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -2.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -40.784871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.784871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.784871 (E_RNA) where: Base-Base interactions energy: -15.551 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.003 local terms energy: -25.231688 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -2.427 flat angles P-C4'-P energy: -5.443 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: 292 Temperature: 0.900000 Total energy: -60.157627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.157627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.157627 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.011 local terms energy: -37.036097 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -5.592 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: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -63.577897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.577897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.577897 (E_RNA) where: Base-Base interactions energy: -29.345 where: short stacking energy: -29.039 Base-Backbone interact. energy: -0.036 local terms energy: -34.196644 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -6.904 tors. eta vs tors. theta energy: -6.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -57.865437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.865437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.865437 (E_RNA) where: Base-Base interactions energy: -23.322 where: short stacking energy: -23.322 Base-Backbone interact. energy: -0.008 local terms energy: -34.535747 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -5.248 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: 9 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -64.735767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.735767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.735767 (E_RNA) where: Base-Base interactions energy: -28.944 where: short stacking energy: -28.944 Base-Backbone interact. energy: -0.001 local terms energy: -35.790447 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -4.133 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: 5, replica: 7 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -61.220521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.220521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.220521 (E_RNA) where: Base-Base interactions energy: -29.533 where: short stacking energy: -22.225 Base-Backbone interact. energy: -0.001 local terms energy: -31.687332 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -4.909 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: 1 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -42.621287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.621287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.621287 (E_RNA) where: Base-Base interactions energy: -12.866 where: short stacking energy: -9.950 Base-Backbone interact. energy: -0.029 local terms energy: -29.726059 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -2.177 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: 7, replica: 6 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -68.462981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.462981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.462981 (E_RNA) where: Base-Base interactions energy: -35.586 where: short stacking energy: -26.519 Base-Backbone interact. energy: -0.069 local terms energy: -32.807650 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -5.406 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -47.541512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.541512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.541512 (E_RNA) where: Base-Base interactions energy: -16.794 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.691 local terms energy: -30.055951 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -5.343 tors. eta vs tors. theta energy: -4.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -43.895626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.895626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.895626 (E_RNA) where: Base-Base interactions energy: -16.279 where: short stacking energy: -15.260 Base-Backbone interact. energy: -0.043 local terms energy: -27.573972 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -42.852543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.852543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.852543 (E_RNA) where: Base-Base interactions energy: -11.974 where: short stacking energy: -11.870 Base-Backbone interact. energy: -0.002 local terms energy: -30.876557 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.463 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -66.676936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.676936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.676936 (E_RNA) where: Base-Base interactions energy: -26.643 where: short stacking energy: -26.643 Base-Backbone interact. energy: -0.000 local terms energy: -40.033434 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -5.214 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: 2, replica: 8 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -67.628333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.628333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.628333 (E_RNA) where: Base-Base interactions energy: -28.160 where: short stacking energy: -28.160 Base-Backbone interact. energy: -0.000 local terms energy: -39.467857 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -4.738 tors. eta vs tors. theta energy: -10.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -67.076004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.076004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.076004 (E_RNA) where: Base-Base interactions energy: -30.621 where: short stacking energy: -20.087 Base-Backbone interact. energy: -0.055 local terms energy: -36.400497 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -7.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -53.972445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.972445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.972445 (E_RNA) where: Base-Base interactions energy: -20.039 where: short stacking energy: -20.039 Base-Backbone interact. energy: -0.016 local terms energy: -33.917325 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -5.028 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: 5, replica: 9 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -52.851468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.851468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.851468 (E_RNA) where: Base-Base interactions energy: -26.213 where: short stacking energy: -26.213 Base-Backbone interact. energy: -0.079 local terms energy: -26.558560 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -2.738 tors. eta vs tors. theta energy: -3.305 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: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -46.495810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.495810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.495810 (E_RNA) where: Base-Base interactions energy: -14.465 where: short stacking energy: -14.465 Base-Backbone interact. energy: -0.002 local terms energy: -32.028248 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -6.610 flat angles P-C4'-P energy: -7.316 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: 1 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -48.103889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.103889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.103889 (E_RNA) where: Base-Base interactions energy: -17.274 where: short stacking energy: -17.274 Base-Backbone interact. energy: -0.149 local terms energy: -30.681373 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -3.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -47.275706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.275706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.275706 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.745 Base-Backbone interact. energy: -0.003 local terms energy: -30.346160 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -3.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -40.496733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.496733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.496733 (E_RNA) where: Base-Base interactions energy: -13.854 where: short stacking energy: -13.854 Base-Backbone interact. energy: -0.002 local terms energy: -26.641361 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.873 flat angles C4'-P-C4' energy: -5.496 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -1.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -45.513992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.513992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.513992 (E_RNA) where: Base-Base interactions energy: -14.833 where: short stacking energy: -14.833 Base-Backbone interact. energy: -0.006 local terms energy: -30.675381 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -4.471 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: 8 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -71.781702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.781702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.781702 (E_RNA) where: Base-Base interactions energy: -33.724 where: short stacking energy: -33.724 Base-Backbone interact. energy: -0.000 local terms energy: -38.057403 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -10.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -59.406663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.406663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.406663 (E_RNA) where: Base-Base interactions energy: -22.556 where: short stacking energy: -22.556 Base-Backbone interact. energy: -0.000 local terms energy: -36.850150 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -6.851 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: 3, replica: 5 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -53.321189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.321189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.321189 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -20.496 Base-Backbone interact. energy: -0.100 local terms energy: -32.724812 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.128 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -59.716860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.716860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.716860 (E_RNA) where: Base-Base interactions energy: -24.956 where: short stacking energy: -24.956 Base-Backbone interact. energy: -0.099 local terms energy: -34.662361 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -3.846 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: 5, replica: 9 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -50.540851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.540851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.540851 (E_RNA) where: Base-Base interactions energy: -21.773 where: short stacking energy: -21.773 Base-Backbone interact. energy: -0.099 local terms energy: -28.668539 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -4.857 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -7.099 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: 6 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -41.587168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.587168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.587168 (E_RNA) where: Base-Base interactions energy: -12.542 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.000 local terms energy: -29.044724 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.109 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -51.478841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.478841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.478841 (E_RNA) where: Base-Base interactions energy: -21.745 where: short stacking energy: -18.014 Base-Backbone interact. energy: -0.001 local terms energy: -29.732761 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -1.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -48.984039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.984039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.984039 (E_RNA) where: Base-Base interactions energy: -21.152 where: short stacking energy: -21.152 Base-Backbone interact. energy: -0.436 local terms energy: -27.395666 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -6.451 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -45.792034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.792034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.792034 (E_RNA) where: Base-Base interactions energy: -14.392 where: short stacking energy: -13.947 Base-Backbone interact. energy: -0.029 local terms energy: -31.370385 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -3.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -42.350365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.350365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.350365 (E_RNA) where: Base-Base interactions energy: -16.945 where: short stacking energy: -13.804 Base-Backbone interact. energy: 0.059 local terms energy: -25.463648 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -5.072 flat angles P-C4'-P energy: -1.518 tors. eta vs tors. theta energy: -3.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -70.110783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.110783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.110783 (E_RNA) where: Base-Base interactions energy: -30.262 where: short stacking energy: -30.262 Base-Backbone interact. energy: -0.000 local terms energy: -39.848760 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -9.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -70.033744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.033744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.033744 (E_RNA) where: Base-Base interactions energy: -33.379 where: short stacking energy: -29.121 Base-Backbone interact. energy: -0.001 local terms energy: -36.653970 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -5.227 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: 3, replica: 5 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -61.496462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.496462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.496462 (E_RNA) where: Base-Base interactions energy: -28.193 where: short stacking energy: -24.014 Base-Backbone interact. energy: -0.171 local terms energy: -33.131934 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -3.558 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: 9 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -58.310343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.310343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.310343 (E_RNA) where: Base-Base interactions energy: -23.724 where: short stacking energy: -21.291 Base-Backbone interact. energy: -0.002 local terms energy: -34.584222 where: bonds (distance) C4'-P energy: -6.701 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -6.769 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: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -64.817370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.817370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.817370 (E_RNA) where: Base-Base interactions energy: -30.208 where: short stacking energy: -23.698 Base-Backbone interact. energy: -0.005 local terms energy: -34.603730 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -5.987 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: 6, replica: 2 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -53.504893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.504893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.504893 (E_RNA) where: Base-Base interactions energy: -19.628 where: short stacking energy: -19.628 Base-Backbone interact. energy: -0.001 local terms energy: -33.875718 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -4.410 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: 7, replica: 6 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -44.715085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.715085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.715085 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.014 local terms energy: -31.363834 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -38.625903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.625903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.625903 (E_RNA) where: Base-Base interactions energy: -7.810 where: short stacking energy: -7.810 Base-Backbone interact. energy: -0.008 local terms energy: -30.807829 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -5.700 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: 1 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -52.726171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.726171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.726171 (E_RNA) where: Base-Base interactions energy: -18.556 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.446 local terms energy: -33.723515 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -3.243 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: 295 Temperature: 1.350000 Total energy: -43.533932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.533932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.533932 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.022 local terms energy: -31.482013 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -9.556 flat angles P-C4'-P energy: -2.523 tors. eta vs tors. theta energy: -4.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -75.644938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.644938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.644938 (E_RNA) where: Base-Base interactions energy: -33.271 where: short stacking energy: -33.271 Base-Backbone interact. energy: -0.000 local terms energy: -42.374216 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -9.383 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -66.228396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.228396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.228396 (E_RNA) where: Base-Base interactions energy: -28.048 where: short stacking energy: -28.048 Base-Backbone interact. energy: -0.000 local terms energy: -38.179926 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -7.791 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -9.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -65.518414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.518414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.518414 (E_RNA) where: Base-Base interactions energy: -30.732 where: short stacking energy: -30.732 Base-Backbone interact. energy: -0.000 local terms energy: -34.786260 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -5.309 flat angles C4'-P-C4' energy: -8.245 flat angles P-C4'-P energy: -7.211 tors. eta vs tors. theta energy: -8.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -53.915408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.915408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.915408 (E_RNA) where: Base-Base interactions energy: -20.787 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.010 local terms energy: -33.118956 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -6.013 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -56.238047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.238047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.238047 (E_RNA) where: Base-Base interactions energy: -32.113 where: short stacking energy: -7.290 Base-Backbone interact. energy: 0.495 local terms energy: -24.619648 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: 2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -49.329512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.329512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.329512 (E_RNA) where: Base-Base interactions energy: -20.270 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.033 local terms energy: -29.026612 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -3.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -42.369379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.369379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.369379 (E_RNA) where: Base-Base interactions energy: -11.272 where: short stacking energy: -10.929 Base-Backbone interact. energy: -0.104 local terms energy: -30.993982 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.498 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: 0.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -42.262207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.262207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.262207 (E_RNA) where: Base-Base interactions energy: -14.133 where: short stacking energy: -11.636 Base-Backbone interact. energy: -0.035 local terms energy: -28.094128 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.701 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -1.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -45.303334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.303334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.303334 (E_RNA) where: Base-Base interactions energy: -16.922 where: short stacking energy: -16.922 Base-Backbone interact. energy: 0.325 local terms energy: -28.705840 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -0.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -37.231719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.231719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.231719 (E_RNA) where: Base-Base interactions energy: -13.837 where: short stacking energy: -8.293 Base-Backbone interact. energy: -0.002 local terms energy: -23.392418 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -6.482 flat angles P-C4'-P energy: -2.956 tors. eta vs tors. theta energy: -0.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -77.487579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.487579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.487579 (E_RNA) where: Base-Base interactions energy: -35.874 where: short stacking energy: -35.874 Base-Backbone interact. energy: -0.000 local terms energy: -41.613779 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -5.880 tors. eta vs tors. theta energy: -11.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -59.531803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.531803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.531803 (E_RNA) where: Base-Base interactions energy: -25.765 where: short stacking energy: -25.765 Base-Backbone interact. energy: -0.009 local terms energy: -33.758090 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -7.078 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: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -56.422695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.422695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.422695 (E_RNA) where: Base-Base interactions energy: -23.301 where: short stacking energy: -20.702 Base-Backbone interact. energy: -0.028 local terms energy: -33.093065 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -7.028 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: 4, replica: 9 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -51.951957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.951957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.951957 (E_RNA) where: Base-Base interactions energy: -21.273 where: short stacking energy: -21.273 Base-Backbone interact. energy: -0.000 local terms energy: -30.678194 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.993 tors. eta vs tors. theta energy: -3.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -51.429002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.429002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.429002 (E_RNA) where: Base-Base interactions energy: -23.957 where: short stacking energy: -17.657 Base-Backbone interact. energy: 1.675 local terms energy: -29.146844 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -4.750 flat angles P-C4'-P energy: -5.220 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: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -42.385954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.385954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.385954 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.054 local terms energy: -22.463580 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.751 flat angles C4'-P-C4' energy: -3.724 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -1.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -43.610832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.610832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.610832 (E_RNA) where: Base-Base interactions energy: -12.766 where: short stacking energy: -12.766 Base-Backbone interact. energy: -0.079 local terms energy: -30.765404 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.706 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -1.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -44.430929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.430929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.430929 (E_RNA) where: Base-Base interactions energy: -14.856 where: short stacking energy: -8.736 Base-Backbone interact. energy: -0.063 local terms energy: -29.512660 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -2.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -40.851253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.851253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.851253 (E_RNA) where: Base-Base interactions energy: -12.030 where: short stacking energy: -12.030 Base-Backbone interact. energy: -0.028 local terms energy: -28.794035 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -1.353 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: 10, replica: 1 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -43.159607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.159607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.159607 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -12.929 Base-Backbone interact. energy: -0.000 local terms energy: -30.230207 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -5.434 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -66.953435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.953435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.953435 (E_RNA) where: Base-Base interactions energy: -27.763 where: short stacking energy: -26.052 Base-Backbone interact. energy: -0.013 local terms energy: -39.177897 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -7.322 tors. eta vs tors. theta energy: -7.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -62.621064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.621064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.621064 (E_RNA) where: Base-Base interactions energy: -22.677 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.099 local terms energy: -39.844655 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -4.510 tors. eta vs tors. theta energy: -8.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -57.096199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.096199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.096199 (E_RNA) where: Base-Base interactions energy: -23.691 where: short stacking energy: -23.691 Base-Backbone interact. energy: -0.000 local terms energy: -33.405132 where: bonds (distance) C4'-P energy: -4.525 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -8.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -50.518201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.518201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.518201 (E_RNA) where: Base-Base interactions energy: -19.792 where: short stacking energy: -19.792 Base-Backbone interact. energy: -0.028 local terms energy: -30.698217 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -5.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -52.491161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.491161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.491161 (E_RNA) where: Base-Base interactions energy: -25.361 where: short stacking energy: -21.148 Base-Backbone interact. energy: -0.345 local terms energy: -26.785263 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -5.047 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: 6, replica: 2 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -50.314978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.314978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.314978 (E_RNA) where: Base-Base interactions energy: -20.231 where: short stacking energy: -20.231 Base-Backbone interact. energy: 0.415 local terms energy: -30.498917 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.856 flat angles P-C4'-P energy: -5.645 tors. eta vs tors. theta energy: -4.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -44.042146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.042146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.042146 (E_RNA) where: Base-Base interactions energy: -16.891 where: short stacking energy: -12.602 Base-Backbone interact. energy: -0.064 local terms energy: -27.087075 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -9.071 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -44.502516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.502516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.502516 (E_RNA) where: Base-Base interactions energy: -16.860 where: short stacking energy: -16.860 Base-Backbone interact. energy: -0.000 local terms energy: -27.642451 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -5.472 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -2.456 tors. eta vs tors. theta energy: -4.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -53.657917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.657917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.657917 (E_RNA) where: Base-Base interactions energy: -22.204 where: short stacking energy: -15.830 Base-Backbone interact. energy: -0.000 local terms energy: -31.454058 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -42.091689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.091689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.091689 (E_RNA) where: Base-Base interactions energy: -16.619 where: short stacking energy: -12.872 Base-Backbone interact. energy: 0.637 local terms energy: -26.109793 where: bonds (distance) C4'-P energy: -4.251 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -56.636614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.636614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.636614 (E_RNA) where: Base-Base interactions energy: -23.339 where: short stacking energy: -22.201 Base-Backbone interact. energy: 0.523 local terms energy: -33.821297 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.883 flat angles P-C4'-P energy: -6.936 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -65.237490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.237490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.237490 (E_RNA) where: Base-Base interactions energy: -34.164 where: short stacking energy: -17.434 Base-Backbone interact. energy: -0.003 local terms energy: -31.070779 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.817 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -1.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -56.577560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.577560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.577560 (E_RNA) where: Base-Base interactions energy: -23.056 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.002 local terms energy: -33.518932 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -4.920 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: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -57.770735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.770735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.770735 (E_RNA) where: Base-Base interactions energy: -22.582 where: short stacking energy: -20.540 Base-Backbone interact. energy: -0.001 local terms energy: -35.187155 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -6.777 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -7.132 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: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -56.820424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.820424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.820424 (E_RNA) where: Base-Base interactions energy: -23.809 where: short stacking energy: -23.667 Base-Backbone interact. energy: -0.002 local terms energy: -33.009414 where: bonds (distance) C4'-P energy: -5.867 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -8.146 flat angles P-C4'-P energy: -5.954 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: 299 Temperature: 1.150000 Total energy: -58.802037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.802037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.802037 (E_RNA) where: Base-Base interactions energy: -26.608 where: short stacking energy: -26.608 Base-Backbone interact. energy: -0.015 local terms energy: -32.178610 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -2.743 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: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -41.191032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.191032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.191032 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.122 local terms energy: -23.267170 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: 1.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -52.816101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.816101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.816101 (E_RNA) where: Base-Base interactions energy: -22.608 where: short stacking energy: -22.608 Base-Backbone interact. energy: -0.015 local terms energy: -30.193317 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.293 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: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -37.698533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.698533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.698533 (E_RNA) where: Base-Base interactions energy: -15.575 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.002 local terms energy: -22.121526 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -36.599739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.599739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.599739 (E_RNA) where: Base-Base interactions energy: -12.526 where: short stacking energy: -12.526 Base-Backbone interact. energy: 0.763 local terms energy: -24.836674 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -3.376 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -4.275 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: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -73.802429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.802429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.802429 (E_RNA) where: Base-Base interactions energy: -34.698 where: short stacking energy: -30.965 Base-Backbone interact. energy: -0.000 local terms energy: -39.104041 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -4.708 tors. eta vs tors. theta energy: -9.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -62.452567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.452567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.452567 (E_RNA) where: Base-Base interactions energy: -24.204 where: short stacking energy: -24.204 Base-Backbone interact. energy: -0.001 local terms energy: -38.247393 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -7.668 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: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -54.057055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.057055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.057055 (E_RNA) where: Base-Base interactions energy: -22.960 where: short stacking energy: -22.795 Base-Backbone interact. energy: -0.000 local terms energy: -31.097041 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -4.078 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: 4, replica: 4 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -71.073973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.073973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.073973 (E_RNA) where: Base-Base interactions energy: -35.650 where: short stacking energy: -24.791 Base-Backbone interact. energy: -0.031 local terms energy: -35.392312 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -6.913 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -7.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -45.130610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.130610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.130610 (E_RNA) where: Base-Base interactions energy: -19.035 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.078 local terms energy: -26.017215 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.760 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -49.660241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.660241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.660241 (E_RNA) where: Base-Base interactions energy: -16.659 where: short stacking energy: -16.659 Base-Backbone interact. energy: -0.100 local terms energy: -32.901384 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.478 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -40.599618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.599618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.599618 (E_RNA) where: Base-Base interactions energy: -18.726 where: short stacking energy: -10.761 Base-Backbone interact. energy: -0.020 local terms energy: -21.852849 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -1.358 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: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -47.161248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.161248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.161248 (E_RNA) where: Base-Base interactions energy: -17.464 where: short stacking energy: -17.430 Base-Backbone interact. energy: -0.008 local terms energy: -29.689157 where: bonds (distance) C4'-P energy: -5.697 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -4.127 tors. eta vs tors. theta energy: -2.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -44.398768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.398768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.398768 (E_RNA) where: Base-Base interactions energy: -16.989 where: short stacking energy: -16.989 Base-Backbone interact. energy: -0.001 local terms energy: -27.409040 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -0.285 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: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -38.881927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.881927 (E_RNA) where: Base-Base interactions energy: -13.531 where: short stacking energy: -13.531 Base-Backbone interact. energy: -0.010 local terms energy: -25.340837 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -2.845 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -72.924666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.924666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.924666 (E_RNA) where: Base-Base interactions energy: -34.992 where: short stacking energy: -29.330 Base-Backbone interact. energy: -0.000 local terms energy: -37.932657 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -6.516 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: 2, replica: 5 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -61.524459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.524459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.524459 (E_RNA) where: Base-Base interactions energy: -22.709 where: short stacking energy: -22.709 Base-Backbone interact. energy: -0.021 local terms energy: -38.794053 where: bonds (distance) C4'-P energy: -7.629 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -62.443710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.443710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.443710 (E_RNA) where: Base-Base interactions energy: -25.431 where: short stacking energy: -21.517 Base-Backbone interact. energy: -0.091 local terms energy: -36.921546 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.206 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -6.302 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: 4, replica: 2 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -50.369489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.369489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.369489 (E_RNA) where: Base-Base interactions energy: -19.761 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.124 local terms energy: -30.484745 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.589 tors. eta vs tors. theta energy: -2.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -47.731251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.731251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.731251 (E_RNA) where: Base-Base interactions energy: -19.986 where: short stacking energy: -19.986 Base-Backbone interact. energy: -0.001 local terms energy: -27.743777 where: bonds (distance) C4'-P energy: -4.723 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.501 tors. eta vs tors. theta energy: -1.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -42.083416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.083416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.083416 (E_RNA) where: Base-Base interactions energy: -18.633 where: short stacking energy: -18.633 Base-Backbone interact. energy: -0.000 local terms energy: -23.450728 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -3.346 tors. eta vs tors. theta energy: -0.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -46.447047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.447047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.447047 (E_RNA) where: Base-Base interactions energy: -15.859 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.182 local terms energy: -30.406045 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -5.835 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: 8, replica: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -49.100400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.100400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.100400 (E_RNA) where: Base-Base interactions energy: -20.282 where: short stacking energy: -20.282 Base-Backbone interact. energy: -0.018 local terms energy: -28.801054 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -6.647 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -3.390 tors. eta vs tors. theta energy: -6.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -42.772612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.772612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.772612 (E_RNA) where: Base-Base interactions energy: -14.378 where: short stacking energy: -14.378 Base-Backbone interact. energy: -0.096 local terms energy: -28.297764 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -5.303 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: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -46.034586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.034586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.034586 (E_RNA) where: Base-Base interactions energy: -17.724 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.083 local terms energy: -28.227594 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -4.926 flat angles P-C4'-P energy: -5.306 tors. eta vs tors. theta energy: -2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -65.354336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.354336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.354336 (E_RNA) where: Base-Base interactions energy: -26.242 where: short stacking energy: -26.242 Base-Backbone interact. energy: -0.000 local terms energy: -39.112116 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -6.962 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: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -80.749893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.749893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.749893 (E_RNA) where: Base-Base interactions energy: -45.471 where: short stacking energy: -30.562 Base-Backbone interact. energy: -0.001 local terms energy: -35.278314 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.518 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: 3, replica: 2 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -56.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.345943 (E_RNA) where: Base-Base interactions energy: -23.824 where: short stacking energy: -23.824 Base-Backbone interact. energy: -0.000 local terms energy: -32.522262 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -3.401 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: 302 Temperature: 1.050000 Total energy: -56.490385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.490385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.490385 (E_RNA) where: Base-Base interactions energy: -24.228 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.000 local terms energy: -32.262043 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -4.509 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -50.994470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.994470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.994470 (E_RNA) where: Base-Base interactions energy: -22.318 where: short stacking energy: -18.324 Base-Backbone interact. energy: -0.416 local terms energy: -28.260565 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.414 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -4.934 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: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -46.022767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.022767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.022767 (E_RNA) where: Base-Base interactions energy: -18.148 where: short stacking energy: -18.148 Base-Backbone interact. energy: -0.564 local terms energy: -27.310993 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.666 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -48.524625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.524625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.524625 (E_RNA) where: Base-Base interactions energy: -23.082 where: short stacking energy: -14.065 Base-Backbone interact. energy: 3.284 local terms energy: -28.725729 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.686 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -0.757 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: 8, replica: 8 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -47.720611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720611 (E_RNA) where: Base-Base interactions energy: -17.372 where: short stacking energy: -17.372 Base-Backbone interact. energy: -0.049 local terms energy: -30.300247 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -4.351 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -46.960615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.960615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.960615 (E_RNA) where: Base-Base interactions energy: -16.483 where: short stacking energy: -16.483 Base-Backbone interact. energy: -0.035 local terms energy: -30.442713 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -2.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -39.968374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.968374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.968374 (E_RNA) where: Base-Base interactions energy: -17.193 where: short stacking energy: -9.070 Base-Backbone interact. energy: -0.055 local terms energy: -22.720384 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -3.649 flat angles P-C4'-P energy: -4.007 tors. eta vs tors. theta energy: 1.064 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: 1, replica: 5 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -72.700708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.700708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.700708 (E_RNA) where: Base-Base interactions energy: -34.830 where: short stacking energy: -30.709 Base-Backbone interact. energy: -0.003 local terms energy: -37.867524 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -8.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -67.185115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.185115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.185115 (E_RNA) where: Base-Base interactions energy: -28.992 where: short stacking energy: -28.992 Base-Backbone interact. energy: -0.000 local terms energy: -38.193603 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -10.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -55.151563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.151563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.151563 (E_RNA) where: Base-Base interactions energy: -22.295 where: short stacking energy: -22.295 Base-Backbone interact. energy: -0.000 local terms energy: -32.856246 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -4.413 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: 4, replica: 10 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -62.495392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.495392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.495392 (E_RNA) where: Base-Base interactions energy: -33.573 where: short stacking energy: -24.284 Base-Backbone interact. energy: -0.115 local terms energy: -28.807871 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.699 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -4.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -51.805257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.805257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.805257 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.011 local terms energy: -34.602373 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -6.691 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -51.062934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.062934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.062934 (E_RNA) where: Base-Base interactions energy: -21.633 where: short stacking energy: -21.633 Base-Backbone interact. energy: -0.001 local terms energy: -29.429294 where: bonds (distance) C4'-P energy: -5.774 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -5.862 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: 7, replica: 4 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -52.686683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.686683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.686683 (E_RNA) where: Base-Base interactions energy: -25.113 where: short stacking energy: -12.400 Base-Backbone interact. energy: -0.142 local terms energy: -27.432028 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.575 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: -3.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -45.672477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.672477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.672477 (E_RNA) where: Base-Base interactions energy: -13.435 where: short stacking energy: -13.435 Base-Backbone interact. energy: -0.000 local terms energy: -32.237736 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -1.617 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: 8 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -41.260875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.260875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.260875 (E_RNA) where: Base-Base interactions energy: -11.217 where: short stacking energy: -10.626 Base-Backbone interact. energy: -0.079 local terms energy: -29.965056 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -43.514254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.514254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.514254 (E_RNA) where: Base-Base interactions energy: -13.510 where: short stacking energy: -12.214 Base-Backbone interact. energy: -0.005 local terms energy: -29.998637 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.540 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -4.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -70.480967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.480967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.480967 (E_RNA) where: Base-Base interactions energy: -37.651 where: short stacking energy: -26.164 Base-Backbone interact. energy: -0.012 local terms energy: -32.818066 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -4.985 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: 2, replica: 2 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -66.507498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.507498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.507498 (E_RNA) where: Base-Base interactions energy: -26.424 where: short stacking energy: -26.424 Base-Backbone interact. energy: -0.000 local terms energy: -40.083356 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.923 flat angles P-C4'-P energy: -7.751 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: 10 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -71.415954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.415954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.415954 (E_RNA) where: Base-Base interactions energy: -33.507 where: short stacking energy: -29.717 Base-Backbone interact. energy: -0.000 local terms energy: -37.908936 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -7.840 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: 304 Temperature: 1.050000 Total energy: -50.272824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.272824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.272824 (E_RNA) where: Base-Base interactions energy: -25.656 where: short stacking energy: -25.656 Base-Backbone interact. energy: -0.000 local terms energy: -24.616457 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -0.943 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -49.505193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505193 (E_RNA) where: Base-Base interactions energy: -14.658 where: short stacking energy: -14.658 Base-Backbone interact. energy: -0.040 local terms energy: -34.807509 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -6.654 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: 6 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -53.575872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.575872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.575872 (E_RNA) where: Base-Base interactions energy: -21.449 where: short stacking energy: -19.696 Base-Backbone interact. energy: -0.003 local terms energy: -32.124111 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -6.539 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: 7, replica: 7 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -46.911115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.911115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.911115 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.009 local terms energy: -30.255751 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -2.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -44.736880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.736880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.736880 (E_RNA) where: Base-Base interactions energy: -15.116 where: short stacking energy: -5.754 Base-Backbone interact. energy: -0.671 local terms energy: -28.949492 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -1.090 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: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -42.961612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.961612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.961612 (E_RNA) where: Base-Base interactions energy: -14.122 where: short stacking energy: -14.122 Base-Backbone interact. energy: -0.019 local terms energy: -28.820864 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -6.696 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -6.568 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: 8 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -43.017620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.017620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.017620 (E_RNA) where: Base-Base interactions energy: -13.672 where: short stacking energy: -13.672 Base-Backbone interact. energy: -0.071 local terms energy: -29.274113 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -66.609087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.609087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.609087 (E_RNA) where: Base-Base interactions energy: -31.810 where: short stacking energy: -22.769 Base-Backbone interact. energy: 0.036 local terms energy: -34.835134 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -64.684117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.684117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.684117 (E_RNA) where: Base-Base interactions energy: -27.767 where: short stacking energy: -27.767 Base-Backbone interact. energy: -0.003 local terms energy: -36.913720 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.755 flat angles P-C4'-P energy: -5.063 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: 3, replica: 2 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -58.231329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.231329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.231329 (E_RNA) where: Base-Base interactions energy: -24.943 where: short stacking energy: -24.943 Base-Backbone interact. energy: -0.024 local terms energy: -33.264248 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -2.729 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: 4, replica: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -54.920933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.920933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.920933 (E_RNA) where: Base-Base interactions energy: -19.661 where: short stacking energy: -19.014 Base-Backbone interact. energy: -0.014 local terms energy: -35.246362 where: bonds (distance) C4'-P energy: -6.474 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.625 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -5.978 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: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -51.359699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.359699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.359699 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.000 local terms energy: -32.269572 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -51.020320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.020320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.020320 (E_RNA) where: Base-Base interactions energy: -19.709 where: short stacking energy: -19.709 Base-Backbone interact. energy: -0.057 local terms energy: -31.254044 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -1.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -44.864994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.864994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.864994 (E_RNA) where: Base-Base interactions energy: -17.399 where: short stacking energy: -17.399 Base-Backbone interact. energy: -0.076 local terms energy: -27.389585 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -1.563 tors. eta vs tors. theta energy: -2.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -47.096026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.096026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.096026 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -19.164 Base-Backbone interact. energy: -0.000 local terms energy: -27.932209 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -5.222 flat angles P-C4'-P energy: -4.139 tors. eta vs tors. theta energy: -3.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -45.508888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.508888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.508888 (E_RNA) where: Base-Base interactions energy: -12.488 where: short stacking energy: -12.488 Base-Backbone interact. energy: -0.006 local terms energy: -33.014540 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.021 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -52.216472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.216472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.216472 (E_RNA) where: Base-Base interactions energy: -27.867 where: short stacking energy: -22.287 Base-Backbone interact. energy: -0.001 local terms energy: -24.348732 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -3.343 flat angles P-C4'-P energy: -2.359 tors. eta vs tors. theta energy: -5.650 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: 306 Temperature: 0.900000 Total energy: -81.205170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.205170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.205170 (E_RNA) where: Base-Base interactions energy: -47.896 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.010 local terms energy: -33.298958 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -4.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -64.558412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.558412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.558412 (E_RNA) where: Base-Base interactions energy: -31.448 where: short stacking energy: -26.899 Base-Backbone interact. energy: -0.000 local terms energy: -33.109918 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -5.419 tors. eta vs tors. theta energy: -6.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -49.196339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.196339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.196339 (E_RNA) where: Base-Base interactions energy: -18.173 where: short stacking energy: -18.173 Base-Backbone interact. energy: -0.101 local terms energy: -30.921968 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -3.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -51.192090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.192090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.192090 (E_RNA) where: Base-Base interactions energy: -16.279 where: short stacking energy: -16.279 Base-Backbone interact. energy: -0.024 local terms energy: -34.889222 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -5.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -54.258363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.258363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.258363 (E_RNA) where: Base-Base interactions energy: -24.169 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.000 local terms energy: -30.089562 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -5.498 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: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -54.321542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.321542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.321542 (E_RNA) where: Base-Base interactions energy: -22.682 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.005 local terms energy: -31.634512 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.164 flat angles P-C4'-P energy: -3.576 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: 7, replica: 3 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -46.232984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.232984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.232984 (E_RNA) where: Base-Base interactions energy: -18.508 where: short stacking energy: -18.508 Base-Backbone interact. energy: -0.029 local terms energy: -27.695444 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -50.498643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.498643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.498643 (E_RNA) where: Base-Base interactions energy: -26.399 where: short stacking energy: -14.842 Base-Backbone interact. energy: 2.619 local terms energy: -26.719292 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -7.398 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -3.949 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: 9, replica: 8 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -42.770948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.770948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.770948 (E_RNA) where: Base-Base interactions energy: -15.070 where: short stacking energy: -15.070 Base-Backbone interact. energy: -0.046 local terms energy: -27.654534 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -2.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -41.016955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.016955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.016955 (E_RNA) where: Base-Base interactions energy: -16.872 where: short stacking energy: -15.885 Base-Backbone interact. energy: -0.022 local terms energy: -24.122527 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -2.848 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -6.772 tors. eta vs tors. theta energy: -2.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -80.969643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.969643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.969643 (E_RNA) where: Base-Base interactions energy: -42.797 where: short stacking energy: -27.490 Base-Backbone interact. energy: -0.001 local terms energy: -38.171474 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.079 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.133 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: 2, replica: 1 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -61.167564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.167564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.167564 (E_RNA) where: Base-Base interactions energy: -26.818 where: short stacking energy: -26.818 Base-Backbone interact. energy: -0.001 local terms energy: -34.348507 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -7.248 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: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -63.400250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.400250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.400250 (E_RNA) where: Base-Base interactions energy: -32.629 where: short stacking energy: -26.247 Base-Backbone interact. energy: -0.005 local terms energy: -30.766431 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -7.283 tors. eta vs tors. theta energy: -3.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -53.116501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.116501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.116501 (E_RNA) where: Base-Base interactions energy: -27.069 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.019 local terms energy: -26.028607 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: 0.192 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: 5, replica: 2 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -52.580972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.580972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.580972 (E_RNA) where: Base-Base interactions energy: -20.419 where: short stacking energy: -20.419 Base-Backbone interact. energy: -0.000 local terms energy: -32.162177 where: bonds (distance) C4'-P energy: -5.633 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -4.599 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: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -46.643224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.643224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.643224 (E_RNA) where: Base-Base interactions energy: -13.131 where: short stacking energy: -13.131 Base-Backbone interact. energy: -0.053 local terms energy: -33.459158 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -1.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -50.554041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.554041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.554041 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -21.182 Base-Backbone interact. energy: -0.015 local terms energy: -29.357488 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -2.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -45.931310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.931310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.931310 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.001 local terms energy: -28.448851 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -5.047 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -5.740 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: 9, replica: 6 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -40.943801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.943801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.943801 (E_RNA) where: Base-Base interactions energy: -17.561 where: short stacking energy: -17.561 Base-Backbone interact. energy: -0.003 local terms energy: -23.379562 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -6.246 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -0.163 tors. eta vs tors. theta energy: -3.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -39.331100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.331100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.331100 (E_RNA) where: Base-Base interactions energy: -11.661 where: short stacking energy: -8.312 Base-Backbone interact. energy: -0.241 local terms energy: -27.428684 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: 1.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -65.547687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.547687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.547687 (E_RNA) where: Base-Base interactions energy: -28.493 where: short stacking energy: -25.523 Base-Backbone interact. energy: -0.003 local terms energy: -37.052046 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.928 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: 2, replica: 10 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -66.816899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.816899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.816899 (E_RNA) where: Base-Base interactions energy: -29.275 where: short stacking energy: -29.275 Base-Backbone interact. energy: -0.000 local terms energy: -37.541927 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -8.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -63.973291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.973291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.973291 (E_RNA) where: Base-Base interactions energy: -32.174 where: short stacking energy: -16.735 Base-Backbone interact. energy: -0.099 local terms energy: -31.700473 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -4.555 tors. eta vs tors. theta energy: -5.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -61.403011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.403011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.403011 (E_RNA) where: Base-Base interactions energy: -28.700 where: short stacking energy: -28.700 Base-Backbone interact. energy: -0.000 local terms energy: -32.702625 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -5.989 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: 3 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -56.497777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.497777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.497777 (E_RNA) where: Base-Base interactions energy: -20.752 where: short stacking energy: -20.752 Base-Backbone interact. energy: -0.007 local terms energy: -35.739373 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -7.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -55.131308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.131308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.131308 (E_RNA) where: Base-Base interactions energy: -23.158 where: short stacking energy: -22.173 Base-Backbone interact. energy: -0.005 local terms energy: -31.967863 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -2.638 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: 7, replica: 8 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -44.392334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.392334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.392334 (E_RNA) where: Base-Base interactions energy: -14.053 where: short stacking energy: -14.053 Base-Backbone interact. energy: -0.045 local terms energy: -30.293941 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.837 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -2.870 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: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -44.631273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.631273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.631273 (E_RNA) where: Base-Base interactions energy: -15.690 where: short stacking energy: -15.690 Base-Backbone interact. energy: -0.020 local terms energy: -28.921555 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -0.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -50.871556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.871556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.871556 (E_RNA) where: Base-Base interactions energy: -21.133 where: short stacking energy: -19.668 Base-Backbone interact. energy: -0.000 local terms energy: -29.738555 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.234 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -40.619503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.619503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.619503 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.008 local terms energy: -25.825758 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -4.277 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -0.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -75.051598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.051598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.051598 (E_RNA) where: Base-Base interactions energy: -32.025 where: short stacking energy: -32.025 Base-Backbone interact. energy: -0.000 local terms energy: -43.026300 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -12.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -72.106931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.106931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.106931 (E_RNA) where: Base-Base interactions energy: -30.203 where: short stacking energy: -29.817 Base-Backbone interact. energy: -0.000 local terms energy: -41.904131 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -7.096 tors. eta vs tors. theta energy: -10.165 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: 7 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -56.375022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.375022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.375022 (E_RNA) where: Base-Base interactions energy: -24.362 where: short stacking energy: -24.362 Base-Backbone interact. energy: -0.003 local terms energy: -32.009593 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -3.224 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -8.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -56.519207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.519207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.519207 (E_RNA) where: Base-Base interactions energy: -19.971 where: short stacking energy: -19.971 Base-Backbone interact. energy: -0.091 local terms energy: -36.456691 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -6.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -57.375645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.375645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.375645 (E_RNA) where: Base-Base interactions energy: -26.602 where: short stacking energy: -26.602 Base-Backbone interact. energy: -0.036 local terms energy: -30.737768 where: bonds (distance) C4'-P energy: -7.936 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -2.888 tors. eta vs tors. theta energy: -6.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -44.306566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.306566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.306566 (E_RNA) where: Base-Base interactions energy: -10.815 where: short stacking energy: -10.815 Base-Backbone interact. energy: -0.006 local terms energy: -33.486253 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -4.983 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: 7, replica: 2 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -48.950926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.950926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.950926 (E_RNA) where: Base-Base interactions energy: -15.136 where: short stacking energy: -15.136 Base-Backbone interact. energy: -0.091 local terms energy: -33.723925 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -4.585 tors. eta vs tors. theta energy: -4.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -41.647274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.647274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.647274 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.689 Base-Backbone interact. energy: -0.000 local terms energy: -29.958102 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -5.043 tors. eta vs tors. theta energy: -4.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -44.847879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.847879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.847879 (E_RNA) where: Base-Base interactions energy: -14.401 where: short stacking energy: -14.401 Base-Backbone interact. energy: -0.109 local terms energy: -30.338148 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -6.328 tors. eta vs tors. theta energy: -2.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -40.591312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.591312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.591312 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.002 local terms energy: -25.148316 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -5.256 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -3.334 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: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -69.657884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.657884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.657884 (E_RNA) where: Base-Base interactions energy: -28.940 where: short stacking energy: -28.940 Base-Backbone interact. energy: -0.000 local terms energy: -40.717460 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -4.415 tors. eta vs tors. theta energy: -10.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -62.510378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.510378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.510378 (E_RNA) where: Base-Base interactions energy: -24.719 where: short stacking energy: -24.719 Base-Backbone interact. energy: -0.005 local terms energy: -37.786486 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -9.296 flat angles P-C4'-P energy: -7.313 tors. eta vs tors. theta energy: -5.913 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: 310 Temperature: 1.000000 Total energy: -71.698908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.698908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.698908 (E_RNA) where: Base-Base interactions energy: -34.757 where: short stacking energy: -22.519 Base-Backbone interact. energy: -0.003 local terms energy: -36.938739 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -6.845 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: 4, replica: 7 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -61.127450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.127450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.127450 (E_RNA) where: Base-Base interactions energy: -27.810 where: short stacking energy: -22.168 Base-Backbone interact. energy: -0.009 local terms energy: -33.308261 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -6.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -59.291027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.291027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.291027 (E_RNA) where: Base-Base interactions energy: -22.646 where: short stacking energy: -17.457 Base-Backbone interact. energy: -0.001 local terms energy: -36.643503 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -6.689 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: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -47.613316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.613316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.613316 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -19.439 Base-Backbone interact. energy: -0.150 local terms energy: -28.024752 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.376 flat angles P-C4'-P energy: -4.443 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: 310 Temperature: 1.200000 Total energy: -54.328526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.328526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.328526 (E_RNA) where: Base-Base interactions energy: -26.928 where: short stacking energy: -13.367 Base-Backbone interact. energy: -0.076 local terms energy: -27.324975 where: bonds (distance) C4'-P energy: -3.122 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -2.892 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: 8, replica: 6 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -44.348438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.348438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.348438 (E_RNA) where: Base-Base interactions energy: -17.980 where: short stacking energy: -17.980 Base-Backbone interact. energy: -0.018 local terms energy: -26.349638 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -1.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -52.235105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.235105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.235105 (E_RNA) where: Base-Base interactions energy: -20.824 where: short stacking energy: -17.686 Base-Backbone interact. energy: -0.005 local terms energy: -31.406416 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -42.952548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.952548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.952548 (E_RNA) where: Base-Base interactions energy: -15.931 where: short stacking energy: -11.346 Base-Backbone interact. energy: -0.004 local terms energy: -27.017908 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.513 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -0.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -74.766097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.766097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.766097 (E_RNA) where: Base-Base interactions energy: -35.268 where: short stacking energy: -35.268 Base-Backbone interact. energy: -0.000 local terms energy: -39.497595 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -6.647 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -55.234558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.234558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.234558 (E_RNA) where: Base-Base interactions energy: -21.853 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.496 local terms energy: -32.885531 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.464 flat angles P-C4'-P energy: -4.864 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: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -59.595896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.595896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.595896 (E_RNA) where: Base-Base interactions energy: -28.306 where: short stacking energy: -28.306 Base-Backbone interact. energy: -0.002 local terms energy: -31.287788 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -5.952 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: 8 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -60.762710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.762710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.762710 (E_RNA) where: Base-Base interactions energy: -29.423 where: short stacking energy: -29.423 Base-Backbone interact. energy: -0.097 local terms energy: -31.242247 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -1.963 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: 5, replica: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -51.360870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.360870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.360870 (E_RNA) where: Base-Base interactions energy: -16.312 where: short stacking energy: -16.312 Base-Backbone interact. energy: -0.000 local terms energy: -35.048868 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -6.661 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: 2 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -60.696731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.696731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.696731 (E_RNA) where: Base-Base interactions energy: -28.388 where: short stacking energy: -28.388 Base-Backbone interact. energy: -0.000 local terms energy: -32.308820 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -5.354 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: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -48.077060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.077060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.077060 (E_RNA) where: Base-Base interactions energy: -19.626 where: short stacking energy: -19.626 Base-Backbone interact. energy: -0.001 local terms energy: -28.450492 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -3.929 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: 8, replica: 6 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -49.552958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.552958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.552958 (E_RNA) where: Base-Base interactions energy: -16.077 where: short stacking energy: -16.077 Base-Backbone interact. energy: -0.009 local terms energy: -33.466583 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -9.363 flat angles P-C4'-P energy: -3.299 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: 9, replica: 4 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -44.637926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.637926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.637926 (E_RNA) where: Base-Base interactions energy: -20.240 where: short stacking energy: -19.524 Base-Backbone interact. energy: -0.145 local terms energy: -24.252971 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -3.158 flat angles C4'-P-C4' energy: -9.132 flat angles P-C4'-P energy: -3.999 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: 10, replica: 9 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -38.908408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.908408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.908408 (E_RNA) where: Base-Base interactions energy: -8.127 where: short stacking energy: -8.127 Base-Backbone interact. energy: -0.039 local terms energy: -30.742812 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -5.620 tors. eta vs tors. theta energy: -1.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -61.266844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.266844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.266844 (E_RNA) where: Base-Base interactions energy: -25.234 where: short stacking energy: -25.234 Base-Backbone interact. energy: -0.003 local terms energy: -36.030367 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -67.037122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.037122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.037122 (E_RNA) where: Base-Base interactions energy: -31.322 where: short stacking energy: -30.501 Base-Backbone interact. energy: -0.000 local terms energy: -35.715469 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -5.236 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: 3, replica: 1 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -57.484795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.484795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.484795 (E_RNA) where: Base-Base interactions energy: -28.433 where: short stacking energy: -17.031 Base-Backbone interact. energy: -0.074 local terms energy: -28.977847 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -50.869785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.869785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.869785 (E_RNA) where: Base-Base interactions energy: -18.303 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.056 local terms energy: -32.510840 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -55.740774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.740774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.740774 (E_RNA) where: Base-Base interactions energy: -24.127 where: short stacking energy: -19.123 Base-Backbone interact. energy: -1.915 local terms energy: -29.697858 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -4.358 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -5.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -50.122286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.122286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.122286 (E_RNA) where: Base-Base interactions energy: -25.880 where: short stacking energy: -21.173 Base-Backbone interact. energy: -0.075 local terms energy: -24.167627 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -5.925 flat angles C4'-P-C4' energy: -5.822 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -0.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -49.434404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.434404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.434404 (E_RNA) where: Base-Base interactions energy: -19.723 where: short stacking energy: -19.723 Base-Backbone interact. energy: -0.224 local terms energy: -29.486939 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -1.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -42.379937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.379937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.379937 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -13.374 Base-Backbone interact. energy: -0.012 local terms energy: -26.588678 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -3.234 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: 9, replica: 9 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -45.007589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.007589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.007589 (E_RNA) where: Base-Base interactions energy: -12.262 where: short stacking energy: -12.262 Base-Backbone interact. energy: -0.056 local terms energy: -32.689714 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -3.550 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: 4 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -39.292553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.292553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.292553 (E_RNA) where: Base-Base interactions energy: -13.292 where: short stacking energy: -13.292 Base-Backbone interact. energy: -0.023 local terms energy: -25.976966 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: 0.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -68.590649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.590649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.590649 (E_RNA) where: Base-Base interactions energy: -29.875 where: short stacking energy: -29.875 Base-Backbone interact. energy: -0.000 local terms energy: -38.715778 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -8.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -58.698479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.698479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.698479 (E_RNA) where: Base-Base interactions energy: -30.211 where: short stacking energy: -21.378 Base-Backbone interact. energy: -0.005 local terms energy: -28.481918 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.282 flat angles P-C4'-P energy: -2.080 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: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -61.780863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.780863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.780863 (E_RNA) where: Base-Base interactions energy: -27.323 where: short stacking energy: -26.866 Base-Backbone interact. energy: -0.000 local terms energy: -34.458170 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -5.030 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: 4, replica: 7 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -61.725260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.725260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.725260 (E_RNA) where: Base-Base interactions energy: -28.771 where: short stacking energy: -18.162 Base-Backbone interact. energy: -0.001 local terms energy: -32.952508 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -1.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -48.065581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.065581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.065581 (E_RNA) where: Base-Base interactions energy: -20.341 where: short stacking energy: -20.341 Base-Backbone interact. energy: -0.002 local terms energy: -27.722525 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -44.619115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.619115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.619115 (E_RNA) where: Base-Base interactions energy: -13.223 where: short stacking energy: -13.223 Base-Backbone interact. energy: -0.006 local terms energy: -31.389812 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.945 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.973 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -56.976387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.976387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.976387 (E_RNA) where: Base-Base interactions energy: -26.653 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.010 local terms energy: -30.313525 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -4.105 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: 9 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -45.946567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.946567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.946567 (E_RNA) where: Base-Base interactions energy: -21.565 where: short stacking energy: -15.442 Base-Backbone interact. energy: -0.090 local terms energy: -24.292012 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -0.171 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -56.492706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.492706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.492706 (E_RNA) where: Base-Base interactions energy: -20.485 where: short stacking energy: -20.485 Base-Backbone interact. energy: -0.008 local terms energy: -36.000163 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.203 flat angles P-C4'-P energy: -5.944 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: 10, replica: 4 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -42.626251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.626251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.626251 (E_RNA) where: Base-Base interactions energy: -14.727 where: short stacking energy: -14.727 Base-Backbone interact. energy: -0.002 local terms energy: -27.897955 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -5.095 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -3.676 tors. eta vs tors. theta energy: -5.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -53.157998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.157998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.157998 (E_RNA) where: Base-Base interactions energy: -22.682 where: short stacking energy: -22.682 Base-Backbone interact. energy: -0.187 local terms energy: -30.288124 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -5.138 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: 2, replica: 3 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -67.311699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.311699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.311699 (E_RNA) where: Base-Base interactions energy: -31.799 where: short stacking energy: -31.799 Base-Backbone interact. energy: -0.001 local terms energy: -35.512034 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -5.066 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: 3, replica: 10 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -70.887249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.887249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.887249 (E_RNA) where: Base-Base interactions energy: -33.532 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.000 local terms energy: -37.354855 where: bonds (distance) C4'-P energy: -5.909 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -7.702 flat angles P-C4'-P energy: -7.488 tors. eta vs tors. theta energy: -9.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -62.232710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.232710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.232710 (E_RNA) where: Base-Base interactions energy: -24.733 where: short stacking energy: -19.058 Base-Backbone interact. energy: -0.044 local terms energy: -37.455279 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -5.651 tors. eta vs tors. theta energy: -7.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -51.544135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.544135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.544135 (E_RNA) where: Base-Base interactions energy: -18.976 where: short stacking energy: -18.976 Base-Backbone interact. energy: -0.000 local terms energy: -32.567704 where: bonds (distance) C4'-P energy: -3.700 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -6.538 tors. eta vs tors. theta energy: -5.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -47.107009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.107009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.107009 (E_RNA) where: Base-Base interactions energy: -20.059 where: short stacking energy: -20.059 Base-Backbone interact. energy: -0.001 local terms energy: -27.047121 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -2.355 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: 7, replica: 9 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -46.983176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.983176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.983176 (E_RNA) where: Base-Base interactions energy: -19.717 where: short stacking energy: -18.596 Base-Backbone interact. energy: -0.170 local terms energy: -27.096040 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -2.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -44.201363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.201363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.201363 (E_RNA) where: Base-Base interactions energy: -12.425 where: short stacking energy: -12.425 Base-Backbone interact. energy: -0.001 local terms energy: -31.775147 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -4.788 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: 9, replica: 5 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -40.886574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.886574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.886574 (E_RNA) where: Base-Base interactions energy: -10.153 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.000 local terms energy: -30.733543 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -7.496 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -1.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -52.764913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.764913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.764913 (E_RNA) where: Base-Base interactions energy: -26.036 where: short stacking energy: -26.036 Base-Backbone interact. energy: -0.002 local terms energy: -26.727167 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -2.218 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -70.001398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.001398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.001398 (E_RNA) where: Base-Base interactions energy: -39.417 where: short stacking energy: -25.927 Base-Backbone interact. energy: 0.031 local terms energy: -30.615505 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -6.796 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -4.283 tors. eta vs tors. theta energy: -5.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -50.326906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.326906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.326906 (E_RNA) where: Base-Base interactions energy: -17.568 where: short stacking energy: -7.678 Base-Backbone interact. energy: -0.125 local terms energy: -32.633783 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -6.112 tors. eta vs tors. theta energy: -1.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -54.605311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.605311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.605311 (E_RNA) where: Base-Base interactions energy: -25.890 where: short stacking energy: -16.548 Base-Backbone interact. energy: -0.004 local terms energy: -28.711468 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -4.903 flat angles P-C4'-P energy: -6.788 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -61.601862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.601862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.601862 (E_RNA) where: Base-Base interactions energy: -28.532 where: short stacking energy: -28.532 Base-Backbone interact. energy: -0.000 local terms energy: -33.069457 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.388 flat angles P-C4'-P energy: -3.074 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: 5, replica: 7 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -64.210994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.210994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.210994 (E_RNA) where: Base-Base interactions energy: -31.529 where: short stacking energy: -25.691 Base-Backbone interact. energy: -0.004 local terms energy: -32.677986 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -7.164 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: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -50.821645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.821645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.821645 (E_RNA) where: Base-Base interactions energy: -23.353 where: short stacking energy: -12.409 Base-Backbone interact. energy: -0.016 local terms energy: -27.453114 where: bonds (distance) C4'-P energy: -1.457 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -5.702 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: 7, replica: 8 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -44.264817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.264817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.264817 (E_RNA) where: Base-Base interactions energy: -16.133 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.615 local terms energy: -27.516314 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.895 flat angles P-C4'-P energy: -3.261 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: 8, replica: 5 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -46.716994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.716994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.716994 (E_RNA) where: Base-Base interactions energy: -20.851 where: short stacking energy: -20.851 Base-Backbone interact. energy: -0.014 local terms energy: -25.852332 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.502 flat angles P-C4'-P energy: -1.439 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: 9, replica: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -39.988190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.988190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.988190 (E_RNA) where: Base-Base interactions energy: -9.759 where: short stacking energy: -9.338 Base-Backbone interact. energy: -0.008 local terms energy: -30.221680 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: -2.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -43.349856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.349856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.349856 (E_RNA) where: Base-Base interactions energy: -19.303 where: short stacking energy: -19.303 Base-Backbone interact. energy: 0.225 local terms energy: -24.272456 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -1.462 flat angles P-C4'-P energy: -3.977 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: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -70.828635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.828635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.828635 (E_RNA) where: Base-Base interactions energy: -38.451 where: short stacking energy: -20.545 Base-Backbone interact. energy: -0.166 local terms energy: -32.211638 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -1.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -84.075231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.075231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.075231 (E_RNA) where: Base-Base interactions energy: -44.963 where: short stacking energy: -24.854 Base-Backbone interact. energy: -0.382 local terms energy: -38.731118 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -6.146 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: 3, replica: 6 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -61.292407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.292407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.292407 (E_RNA) where: Base-Base interactions energy: -29.694 where: short stacking energy: -29.694 Base-Backbone interact. energy: -0.001 local terms energy: -31.597789 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.766 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -7.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -53.701935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.701935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.701935 (E_RNA) where: Base-Base interactions energy: -24.210 where: short stacking energy: -24.210 Base-Backbone interact. energy: -0.054 local terms energy: -29.438373 where: bonds (distance) C4'-P energy: -4.343 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -4.253 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: 5, replica: 9 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -55.525127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.525127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.525127 (E_RNA) where: Base-Base interactions energy: -18.304 where: short stacking energy: -18.304 Base-Backbone interact. energy: -0.000 local terms energy: -37.221261 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -6.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -51.166058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.166058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.166058 (E_RNA) where: Base-Base interactions energy: -25.520 where: short stacking energy: -20.999 Base-Backbone interact. energy: -0.027 local terms energy: -25.619013 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.753 flat angles P-C4'-P energy: -3.001 tors. eta vs tors. theta energy: -0.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -54.119510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.119510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.119510 (E_RNA) where: Base-Base interactions energy: -19.908 where: short stacking energy: -19.908 Base-Backbone interact. energy: -0.084 local terms energy: -34.126880 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -3.845 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: 8, replica: 8 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -46.359864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359864 (E_RNA) where: Base-Base interactions energy: -18.589 where: short stacking energy: -18.589 Base-Backbone interact. energy: -0.055 local terms energy: -27.716074 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -1.453 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: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -51.380896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.380896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.380896 (E_RNA) where: Base-Base interactions energy: -21.615 where: short stacking energy: -20.886 Base-Backbone interact. energy: -0.000 local terms energy: -29.766240 where: bonds (distance) C4'-P energy: -6.078 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.747 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -6.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -45.842459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.842459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.842459 (E_RNA) where: Base-Base interactions energy: -17.139 where: short stacking energy: -17.139 Base-Backbone interact. energy: -0.058 local terms energy: -28.645674 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -5.156 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -4.252 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -79.315745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.315745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.315745 (E_RNA) where: Base-Base interactions energy: -40.872 where: short stacking energy: -26.882 Base-Backbone interact. energy: -0.024 local terms energy: -38.420218 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -6.257 tors. eta vs tors. theta energy: -8.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -79.950500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.950500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.950500 (E_RNA) where: Base-Base interactions energy: -45.811 where: short stacking energy: -26.841 Base-Backbone interact. energy: -0.183 local terms energy: -33.956827 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -4.794 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: 6 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -56.285025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.285025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.285025 (E_RNA) where: Base-Base interactions energy: -26.439 where: short stacking energy: -21.157 Base-Backbone interact. energy: -0.001 local terms energy: -29.845176 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: -2.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -54.422083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.422083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.422083 (E_RNA) where: Base-Base interactions energy: -22.784 where: short stacking energy: -22.784 Base-Backbone interact. energy: -0.011 local terms energy: -31.627193 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -2.912 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: 317 Temperature: 1.100000 Total energy: -54.693780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.693780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.693780 (E_RNA) where: Base-Base interactions energy: -20.970 where: short stacking energy: -20.970 Base-Backbone interact. energy: -0.000 local terms energy: -33.723876 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -5.434 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: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -51.919292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.919292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.919292 (E_RNA) where: Base-Base interactions energy: -26.280 where: short stacking energy: -13.795 Base-Backbone interact. energy: -0.075 local terms energy: -25.564710 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -48.703929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.703929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.703929 (E_RNA) where: Base-Base interactions energy: -17.322 where: short stacking energy: -17.322 Base-Backbone interact. energy: 0.412 local terms energy: -31.794174 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -4.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -41.785339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.785339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.785339 (E_RNA) where: Base-Base interactions energy: -14.817 where: short stacking energy: -14.817 Base-Backbone interact. energy: -0.016 local terms energy: -26.952094 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -2.592 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -45.952923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.952923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.952923 (E_RNA) where: Base-Base interactions energy: -15.505 where: short stacking energy: -15.505 Base-Backbone interact. energy: -0.089 local terms energy: -30.359249 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.436 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -43.875485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.875485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.875485 (E_RNA) where: Base-Base interactions energy: -14.116 where: short stacking energy: -13.677 Base-Backbone interact. energy: -0.012 local terms energy: -29.747437 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -3.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -76.735339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.735339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.735339 (E_RNA) where: Base-Base interactions energy: -45.732 where: short stacking energy: -25.533 Base-Backbone interact. energy: -0.003 local terms energy: -31.000135 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -3.379 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: 2, replica: 10 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -77.527981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.527981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.527981 (E_RNA) where: Base-Base interactions energy: -41.726 where: short stacking energy: -27.088 Base-Backbone interact. energy: 0.324 local terms energy: -36.125927 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -7.445 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: 3, replica: 9 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -54.154572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.154572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.154572 (E_RNA) where: Base-Base interactions energy: -23.548 where: short stacking energy: -23.548 Base-Backbone interact. energy: -0.159 local terms energy: -30.447490 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -3.985 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: 6 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -48.529540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.529540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.529540 (E_RNA) where: Base-Base interactions energy: -19.720 where: short stacking energy: -19.502 Base-Backbone interact. energy: -0.056 local terms energy: -28.753617 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -6.561 flat angles C4'-P-C4' energy: -9.154 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -1.089 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: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -62.319540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.319540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.319540 (E_RNA) where: Base-Base interactions energy: -26.312 where: short stacking energy: -26.312 Base-Backbone interact. energy: -0.001 local terms energy: -36.006680 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -5.021 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: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -48.706748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.706748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.706748 (E_RNA) where: Base-Base interactions energy: -17.679 where: short stacking energy: -17.679 Base-Backbone interact. energy: -0.001 local terms energy: -31.026138 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -4.921 tors. eta vs tors. theta energy: -2.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -53.800914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.800914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.800914 (E_RNA) where: Base-Base interactions energy: -22.266 where: short stacking energy: -22.266 Base-Backbone interact. energy: -0.063 local terms energy: -31.471823 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -4.657 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: 8, replica: 7 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -41.736744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.736744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.736744 (E_RNA) where: Base-Base interactions energy: -16.627 where: short stacking energy: -16.627 Base-Backbone interact. energy: -0.042 local terms energy: -25.067388 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -6.025 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -2.520 tors. eta vs tors. theta energy: -2.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -51.171661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.171661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.171661 (E_RNA) where: Base-Base interactions energy: -23.431 where: short stacking energy: -23.431 Base-Backbone interact. energy: -0.000 local terms energy: -27.740547 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -5.060 flat angles C4'-P-C4' energy: -4.680 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -4.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -39.864964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.864964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.864964 (E_RNA) where: Base-Base interactions energy: -16.926 where: short stacking energy: -16.926 Base-Backbone interact. energy: 0.456 local terms energy: -23.395045 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: 1.510 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: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -77.749238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.749238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.749238 (E_RNA) where: Base-Base interactions energy: -41.252 where: short stacking energy: -30.016 Base-Backbone interact. energy: -0.001 local terms energy: -36.495627 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.538 tors. eta vs tors. theta energy: -9.087 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: 2, replica: 10 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -68.012558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.012558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.012558 (E_RNA) where: Base-Base interactions energy: -37.724 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.004 local terms energy: -30.284235 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.156 flat angles P-C4'-P energy: -0.225 tors. eta vs tors. theta energy: -4.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -61.071464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.071464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.071464 (E_RNA) where: Base-Base interactions energy: -27.217 where: short stacking energy: -26.382 Base-Backbone interact. energy: -0.003 local terms energy: -33.851564 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -5.820 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: 4, replica: 5 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -54.926055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.926055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.926055 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -25.451 Base-Backbone interact. energy: -0.001 local terms energy: -29.473952 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -6.229 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -5.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -52.698951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.698951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.698951 (E_RNA) where: Base-Base interactions energy: -26.324 where: short stacking energy: -20.824 Base-Backbone interact. energy: -0.001 local terms energy: -26.374020 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.040 flat angles C4'-P-C4' energy: -4.877 flat angles P-C4'-P energy: -3.910 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: 6, replica: 2 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -47.254850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.254850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.254850 (E_RNA) where: Base-Base interactions energy: -12.617 where: short stacking energy: -12.617 Base-Backbone interact. energy: -0.091 local terms energy: -34.546736 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -45.358940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.358940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.358940 (E_RNA) where: Base-Base interactions energy: -16.018 where: short stacking energy: -12.300 Base-Backbone interact. energy: -0.085 local terms energy: -29.256101 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -4.696 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: 8, replica: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -48.433821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.433821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.433821 (E_RNA) where: Base-Base interactions energy: -14.814 where: short stacking energy: -14.814 Base-Backbone interact. energy: -0.000 local terms energy: -33.619897 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.481 tors. eta vs tors. theta energy: -3.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -48.349325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.349325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.349325 (E_RNA) where: Base-Base interactions energy: -20.637 where: short stacking energy: -20.637 Base-Backbone interact. energy: -0.005 local terms energy: -27.707974 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -4.273 flat angles P-C4'-P energy: -6.318 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: 10, replica: 8 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -39.850161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.850161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.850161 (E_RNA) where: Base-Base interactions energy: -16.009 where: short stacking energy: -11.405 Base-Backbone interact. energy: -0.033 local terms energy: -23.808198 where: bonds (distance) C4'-P energy: -5.374 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -0.175 tors. eta vs tors. theta energy: -3.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -82.120630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.120630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.120630 (E_RNA) where: Base-Base interactions energy: -42.356 where: short stacking energy: -28.952 Base-Backbone interact. energy: -0.011 local terms energy: -39.753488 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -9.723 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: 10 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -62.485777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.485777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.485777 (E_RNA) where: Base-Base interactions energy: -29.082 where: short stacking energy: -28.628 Base-Backbone interact. energy: -0.007 local terms energy: -33.396655 where: bonds (distance) C4'-P energy: -4.682 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -6.667 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -64.150209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.150209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.150209 (E_RNA) where: Base-Base interactions energy: -33.827 where: short stacking energy: -9.592 Base-Backbone interact. energy: -0.429 local terms energy: -29.894430 where: bonds (distance) C4'-P energy: -5.260 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -49.368895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.368895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.368895 (E_RNA) where: Base-Base interactions energy: -21.402 where: short stacking energy: -21.402 Base-Backbone interact. energy: -0.041 local terms energy: -27.925842 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -2.697 tors. eta vs tors. theta energy: -4.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -52.371570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.371570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.371570 (E_RNA) where: Base-Base interactions energy: -26.380 where: short stacking energy: -12.246 Base-Backbone interact. energy: 0.479 local terms energy: -26.470993 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -0.171 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -48.494180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.494180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.494180 (E_RNA) where: Base-Base interactions energy: -18.751 where: short stacking energy: -17.373 Base-Backbone interact. energy: -0.338 local terms energy: -29.405384 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -2.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -51.716087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.716087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.716087 (E_RNA) where: Base-Base interactions energy: -21.197 where: short stacking energy: -15.624 Base-Backbone interact. energy: -0.000 local terms energy: -30.519094 where: bonds (distance) C4'-P energy: -3.399 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -6.427 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: 8, replica: 3 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -46.685537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.685537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.685537 (E_RNA) where: Base-Base interactions energy: -20.250 where: short stacking energy: -14.023 Base-Backbone interact. energy: -0.461 local terms energy: -25.974340 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -3.289 tors. eta vs tors. theta energy: -2.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -43.312477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.312477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.312477 (E_RNA) where: Base-Base interactions energy: -11.961 where: short stacking energy: -11.961 Base-Backbone interact. energy: -0.001 local terms energy: -31.350928 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.016 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -4.090 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: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -42.537305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.537305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.537305 (E_RNA) where: Base-Base interactions energy: -12.603 where: short stacking energy: -12.603 Base-Backbone interact. energy: -0.094 local terms energy: -29.840105 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -3.947 tors. eta vs tors. theta energy: -1.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -73.743383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.743383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.743383 (E_RNA) where: Base-Base interactions energy: -33.679 where: short stacking energy: -33.679 Base-Backbone interact. energy: -0.000 local terms energy: -40.064102 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -9.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -57.808281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.808281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.808281 (E_RNA) where: Base-Base interactions energy: -24.212 where: short stacking energy: -24.212 Base-Backbone interact. energy: -0.028 local terms energy: -33.568400 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -4.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -49.974486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.974486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.974486 (E_RNA) where: Base-Base interactions energy: -16.911 where: short stacking energy: -15.270 Base-Backbone interact. energy: -0.759 local terms energy: -32.304457 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -4.821 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: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -64.547654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.547654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.547654 (E_RNA) where: Base-Base interactions energy: -32.140 where: short stacking energy: -22.273 Base-Backbone interact. energy: -0.001 local terms energy: -32.407355 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -6.315 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -0.865 tors. eta vs tors. theta energy: -9.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -45.723457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.723457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.723457 (E_RNA) where: Base-Base interactions energy: -16.112 where: short stacking energy: -16.112 Base-Backbone interact. energy: -0.036 local terms energy: -29.576136 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -3.544 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: 6, replica: 4 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -51.893792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.893792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.893792 (E_RNA) where: Base-Base interactions energy: -19.969 where: short stacking energy: -19.969 Base-Backbone interact. energy: -0.041 local terms energy: -31.884456 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.108 flat angles P-C4'-P energy: -5.314 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: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -46.715545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.715545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.715545 (E_RNA) where: Base-Base interactions energy: -20.400 where: short stacking energy: -19.432 Base-Backbone interact. energy: 0.391 local terms energy: -26.706243 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -6.389 flat angles P-C4'-P energy: -4.988 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: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -47.084274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.084274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.084274 (E_RNA) where: Base-Base interactions energy: -15.645 where: short stacking energy: -15.645 Base-Backbone interact. energy: -0.001 local terms energy: -31.438428 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.164 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -3.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -46.589187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.589187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.589187 (E_RNA) where: Base-Base interactions energy: -21.409 where: short stacking energy: -21.409 Base-Backbone interact. energy: -0.084 local terms energy: -25.095863 where: bonds (distance) C4'-P energy: -0.886 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -4.752 tors. eta vs tors. theta energy: -5.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -41.480311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.480311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.480311 (E_RNA) where: Base-Base interactions energy: -15.283 where: short stacking energy: -15.211 Base-Backbone interact. energy: -0.001 local terms energy: -26.196472 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -2.614 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -3.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -65.635358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.635358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.635358 (E_RNA) where: Base-Base interactions energy: -29.503 where: short stacking energy: -23.784 Base-Backbone interact. energy: -0.033 local terms energy: -36.099536 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -6.277 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: 2, replica: 5 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -54.556259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.556259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.556259 (E_RNA) where: Base-Base interactions energy: -24.359 where: short stacking energy: -19.487 Base-Backbone interact. energy: 0.129 local terms energy: -30.325668 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -6.028 tors. eta vs tors. theta energy: -0.107 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: 322 Temperature: 1.000000 Total energy: -69.608754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.608754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.608754 (E_RNA) where: Base-Base interactions energy: -33.539 where: short stacking energy: -20.487 Base-Backbone interact. energy: -0.014 local terms energy: -36.055191 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -6.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -61.079926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.079926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.079926 (E_RNA) where: Base-Base interactions energy: -27.231 where: short stacking energy: -27.231 Base-Backbone interact. energy: -0.000 local terms energy: -33.848592 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.570 flat angles C4'-P-C4' energy: -7.998 flat angles P-C4'-P energy: -3.105 tors. eta vs tors. theta energy: -6.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -52.662633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.662633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.662633 (E_RNA) where: Base-Base interactions energy: -17.762 where: short stacking energy: -17.762 Base-Backbone interact. energy: -0.000 local terms energy: -34.900398 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -52.544716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.544716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.544716 (E_RNA) where: Base-Base interactions energy: -18.515 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.015 local terms energy: -34.015056 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -4.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -51.972830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.972830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.972830 (E_RNA) where: Base-Base interactions energy: -20.725 where: short stacking energy: -16.023 Base-Backbone interact. energy: -0.001 local terms energy: -31.247477 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -3.969 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -5.928 tors. eta vs tors. theta energy: -6.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -49.538217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.538217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.538217 (E_RNA) where: Base-Base interactions energy: -25.186 where: short stacking energy: -25.186 Base-Backbone interact. energy: -0.002 local terms energy: -24.350849 where: bonds (distance) C4'-P energy: -3.638 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -3.305 tors. eta vs tors. theta energy: -5.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -44.812673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.812673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.812673 (E_RNA) where: Base-Base interactions energy: -14.689 where: short stacking energy: -10.776 Base-Backbone interact. energy: -0.167 local terms energy: -29.956803 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.255 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -38.105220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.105220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.105220 (E_RNA) where: Base-Base interactions energy: -10.236 where: short stacking energy: -10.131 Base-Backbone interact. energy: -0.032 local terms energy: -27.837503 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -64.589673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.589673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.589673 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -25.975 Base-Backbone interact. energy: -0.000 local terms energy: -38.614469 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -8.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -61.419174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.419174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.419174 (E_RNA) where: Base-Base interactions energy: -26.205 where: short stacking energy: -26.205 Base-Backbone interact. energy: -0.000 local terms energy: -35.213591 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -7.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -58.598118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.598118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.598118 (E_RNA) where: Base-Base interactions energy: -26.122 where: short stacking energy: -25.920 Base-Backbone interact. energy: -0.005 local terms energy: -32.471048 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -51.070200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.070200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.070200 (E_RNA) where: Base-Base interactions energy: -18.418 where: short stacking energy: -18.418 Base-Backbone interact. energy: -0.073 local terms energy: -32.579432 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -4.780 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -48.447340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.447340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.447340 (E_RNA) where: Base-Base interactions energy: -16.582 where: short stacking energy: -16.582 Base-Backbone interact. energy: -0.099 local terms energy: -31.766320 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -4.219 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: 6, replica: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -46.532553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.532553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.532553 (E_RNA) where: Base-Base interactions energy: -11.911 where: short stacking energy: -11.911 Base-Backbone interact. energy: -0.000 local terms energy: -34.621513 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -6.882 flat angles P-C4'-P energy: -6.238 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -47.903817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.903817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.903817 (E_RNA) where: Base-Base interactions energy: -15.343 where: short stacking energy: -15.343 Base-Backbone interact. energy: -0.061 local terms energy: -32.499428 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -6.225 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -47.397534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.397534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.397534 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -11.507 Base-Backbone interact. energy: -0.135 local terms energy: -20.717545 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -4.303 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: 2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -54.052510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.052510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.052510 (E_RNA) where: Base-Base interactions energy: -21.572 where: short stacking energy: -21.572 Base-Backbone interact. energy: -0.001 local terms energy: -32.480148 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -3.457 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: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -43.891354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.891354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.891354 (E_RNA) where: Base-Base interactions energy: -12.915 where: short stacking energy: -12.903 Base-Backbone interact. energy: -0.120 local terms energy: -30.855689 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.517 tors. eta vs tors. theta energy: -3.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -60.540557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.540557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.540557 (E_RNA) where: Base-Base interactions energy: -25.709 where: short stacking energy: -25.709 Base-Backbone interact. energy: -0.012 local terms energy: -34.818828 where: bonds (distance) C4'-P energy: -7.722 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.321 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -5.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -57.817418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.817418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.817418 (E_RNA) where: Base-Base interactions energy: -27.411 where: short stacking energy: -13.686 Base-Backbone interact. energy: -0.105 local terms energy: -30.302125 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -4.564 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -67.306991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.306991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.306991 (E_RNA) where: Base-Base interactions energy: -30.866 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.000 local terms energy: -36.441110 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -3.931 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: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -60.331614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.331614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.331614 (E_RNA) where: Base-Base interactions energy: -31.975 where: short stacking energy: -19.643 Base-Backbone interact. energy: 0.678 local terms energy: -29.034298 where: bonds (distance) C4'-P energy: -7.448 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -5.272 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: 5, replica: 3 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -53.665410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.665410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.665410 (E_RNA) where: Base-Base interactions energy: -21.400 where: short stacking energy: -21.400 Base-Backbone interact. energy: -0.004 local terms energy: -32.261499 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.727 flat angles P-C4'-P energy: -4.827 tors. eta vs tors. theta energy: -6.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -49.441434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.441434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.441434 (E_RNA) where: Base-Base interactions energy: -22.075 where: short stacking energy: -22.075 Base-Backbone interact. energy: -0.002 local terms energy: -27.364118 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -5.792 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -4.270 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: 7, replica: 7 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -51.307335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.307335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.307335 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -20.949 Base-Backbone interact. energy: -0.000 local terms energy: -30.358432 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -4.466 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: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -45.376296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.376296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.376296 (E_RNA) where: Base-Base interactions energy: -14.838 where: short stacking energy: -14.838 Base-Backbone interact. energy: -0.024 local terms energy: -30.514460 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.900 tors. eta vs tors. theta energy: -2.820 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: 9, replica: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -45.196127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.196127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.196127 (E_RNA) where: Base-Base interactions energy: -11.342 where: short stacking energy: -11.342 Base-Backbone interact. energy: -0.001 local terms energy: -33.853623 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -5.584 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: 6 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -44.559195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.559195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.559195 (E_RNA) where: Base-Base interactions energy: -16.453 where: short stacking energy: -16.289 Base-Backbone interact. energy: -0.086 local terms energy: -28.019388 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -2.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -82.008385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.008385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.008385 (E_RNA) where: Base-Base interactions energy: -47.118 where: short stacking energy: -28.313 Base-Backbone interact. energy: -0.007 local terms energy: -34.883784 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -5.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -66.602493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.602493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.602493 (E_RNA) where: Base-Base interactions energy: -28.572 where: short stacking energy: -28.572 Base-Backbone interact. energy: -0.000 local terms energy: -38.030475 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -5.462 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: 1 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -62.193031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.193031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.193031 (E_RNA) where: Base-Base interactions energy: -35.504 where: short stacking energy: -17.520 Base-Backbone interact. energy: -0.086 local terms energy: -26.602624 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -2.951 flat angles P-C4'-P energy: -6.440 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: 4, replica: 5 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -62.194447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.194447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.194447 (E_RNA) where: Base-Base interactions energy: -29.651 where: short stacking energy: -19.238 Base-Backbone interact. energy: -0.143 local terms energy: -32.400415 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -4.779 tors. eta vs tors. theta energy: -4.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -50.992397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.992397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.992397 (E_RNA) where: Base-Base interactions energy: -14.502 where: short stacking energy: -14.502 Base-Backbone interact. energy: -0.039 local terms energy: -36.452194 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -4.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -52.377521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.377521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.377521 (E_RNA) where: Base-Base interactions energy: -20.560 where: short stacking energy: -20.560 Base-Backbone interact. energy: -0.002 local terms energy: -31.814937 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -7.090 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: 7, replica: 7 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -49.368820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.368820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.368820 (E_RNA) where: Base-Base interactions energy: -16.649 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.007 local terms energy: -32.712992 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -3.204 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: 8, replica: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -49.806131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.806131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.806131 (E_RNA) where: Base-Base interactions energy: -23.684 where: short stacking energy: -16.363 Base-Backbone interact. energy: -0.003 local terms energy: -26.119260 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: 0.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -45.954357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.954357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.954357 (E_RNA) where: Base-Base interactions energy: -16.679 where: short stacking energy: -16.679 Base-Backbone interact. energy: -0.000 local terms energy: -29.275147 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -6.426 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -5.666 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: 325 Temperature: 1.350000 Total energy: -44.050495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.050495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.050495 (E_RNA) where: Base-Base interactions energy: -20.916 where: short stacking energy: -20.739 Base-Backbone interact. energy: 0.252 local terms energy: -23.386816 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -0.595 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: 1, replica: 4 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -63.826998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.826998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.826998 (E_RNA) where: Base-Base interactions energy: -32.896 where: short stacking energy: -26.456 Base-Backbone interact. energy: -0.010 local terms energy: -30.921201 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.327 flat angles C4'-P-C4' energy: -7.206 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -82.735794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.735794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.735794 (E_RNA) where: Base-Base interactions energy: -47.834 where: short stacking energy: -31.861 Base-Backbone interact. energy: -0.000 local terms energy: -34.901601 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -6.633 tors. eta vs tors. theta energy: -7.069 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: 5 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -59.537701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.537701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.537701 (E_RNA) where: Base-Base interactions energy: -25.372 where: short stacking energy: -20.936 Base-Backbone interact. energy: -0.436 local terms energy: -33.729419 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -4.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -49.749375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.749375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.749375 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -15.560 Base-Backbone interact. energy: -0.104 local terms energy: -26.240115 where: bonds (distance) C4'-P energy: -5.372 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -1.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -51.565787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.565787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.565787 (E_RNA) where: Base-Base interactions energy: -20.654 where: short stacking energy: -20.654 Base-Backbone interact. energy: -0.033 local terms energy: -30.878527 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -48.008561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.008561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.008561 (E_RNA) where: Base-Base interactions energy: -17.896 where: short stacking energy: -16.690 Base-Backbone interact. energy: -0.344 local terms energy: -29.768473 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -2.781 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: 7, replica: 8 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -41.782354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.782354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.782354 (E_RNA) where: Base-Base interactions energy: -18.681 where: short stacking energy: -12.106 Base-Backbone interact. energy: -0.045 local terms energy: -23.056784 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: 0.033 tors. eta vs tors. theta energy: -1.426 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: 7 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -45.877906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.877906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.877906 (E_RNA) where: Base-Base interactions energy: -19.845 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.164 local terms energy: -25.869146 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -3.623 flat angles P-C4'-P energy: -5.716 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -48.903940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.903940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.903940 (E_RNA) where: Base-Base interactions energy: -16.990 where: short stacking energy: -16.990 Base-Backbone interact. energy: -0.004 local terms energy: -31.910029 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -5.635 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: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -42.940804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.940804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.940804 (E_RNA) where: Base-Base interactions energy: -14.706 where: short stacking energy: -14.706 Base-Backbone interact. energy: -0.004 local terms energy: -28.230717 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -3.380 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: 4 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -77.134192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.134192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.134192 (E_RNA) where: Base-Base interactions energy: -37.487 where: short stacking energy: -35.129 Base-Backbone interact. energy: -0.000 local terms energy: -39.647183 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.285 tors. eta vs tors. theta energy: -10.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -78.761127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.761127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.761127 (E_RNA) where: Base-Base interactions energy: -43.389 where: short stacking energy: -25.121 Base-Backbone interact. energy: -0.016 local terms energy: -35.356977 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.878 flat angles P-C4'-P energy: -6.271 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: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -70.069635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.069635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.069635 (E_RNA) where: Base-Base interactions energy: -34.625 where: short stacking energy: -31.340 Base-Backbone interact. energy: -0.000 local terms energy: -35.444558 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -8.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -61.340931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.340931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.340931 (E_RNA) where: Base-Base interactions energy: -26.889 where: short stacking energy: -26.889 Base-Backbone interact. energy: -0.059 local terms energy: -34.392368 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.334 flat angles C4'-P-C4' energy: -8.411 flat angles P-C4'-P energy: -5.119 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -52.385520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385520 (E_RNA) where: Base-Base interactions energy: -23.091 where: short stacking energy: -23.091 Base-Backbone interact. energy: -0.003 local terms energy: -29.291403 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.465 flat angles P-C4'-P energy: -4.084 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: 6, replica: 8 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -43.774989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.774989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.774989 (E_RNA) where: Base-Base interactions energy: -17.937 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.096 local terms energy: -25.741900 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -6.985 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -3.305 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: 7, replica: 3 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -53.102600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.102600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.102600 (E_RNA) where: Base-Base interactions energy: -25.832 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.072 local terms energy: -27.198196 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.143 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -43.842487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.842487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.842487 (E_RNA) where: Base-Base interactions energy: -23.100 where: short stacking energy: -16.723 Base-Backbone interact. energy: -0.074 local terms energy: -20.668038 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -1.091 tors. eta vs tors. theta energy: -1.126 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: 7 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -43.988965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.988965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.988965 (E_RNA) where: Base-Base interactions energy: -18.580 where: short stacking energy: -18.580 Base-Backbone interact. energy: -0.049 local terms energy: -25.360583 where: bonds (distance) C4'-P energy: -3.651 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -6.992 tors. eta vs tors. theta energy: 0.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -44.107094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.107094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.107094 (E_RNA) where: Base-Base interactions energy: -14.887 where: short stacking energy: -13.407 Base-Backbone interact. energy: -0.000 local terms energy: -29.219615 where: bonds (distance) C4'-P energy: -4.098 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -2.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -74.925203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.925203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.925203 (E_RNA) where: Base-Base interactions energy: -33.335 where: short stacking energy: -33.335 Base-Backbone interact. energy: -0.000 local terms energy: -41.590348 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -56.746248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.746248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.746248 (E_RNA) where: Base-Base interactions energy: -23.294 where: short stacking energy: -18.323 Base-Backbone interact. energy: -1.358 local terms energy: -32.093715 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.461 flat angles P-C4'-P energy: -3.207 tors. eta vs tors. theta energy: -4.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -56.452066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.452066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.452066 (E_RNA) where: Base-Base interactions energy: -26.748 where: short stacking energy: -22.376 Base-Backbone interact. energy: -0.004 local terms energy: -29.699817 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -6.252 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: 4, replica: 5 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -59.518723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.518723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.518723 (E_RNA) where: Base-Base interactions energy: -26.984 where: short stacking energy: -26.984 Base-Backbone interact. energy: -0.000 local terms energy: -32.534279 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -7.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -57.176555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.176555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.176555 (E_RNA) where: Base-Base interactions energy: -27.318 where: short stacking energy: -20.376 Base-Backbone interact. energy: -0.025 local terms energy: -29.833942 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -3.311 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -50.575572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.575572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.575572 (E_RNA) where: Base-Base interactions energy: -19.664 where: short stacking energy: -18.602 Base-Backbone interact. energy: -0.001 local terms energy: -30.909936 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -4.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -54.781431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.781431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.781431 (E_RNA) where: Base-Base interactions energy: -20.322 where: short stacking energy: -19.993 Base-Backbone interact. energy: -0.055 local terms energy: -34.404788 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -5.897 tors. eta vs tors. theta energy: -5.339 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: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -41.639148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.639148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.639148 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -17.835 Base-Backbone interact. energy: -0.021 local terms energy: -23.783548 where: bonds (distance) C4'-P energy: -7.049 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -3.992 flat angles P-C4'-P energy: -2.379 tors. eta vs tors. theta energy: -2.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -44.165268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.165268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.165268 (E_RNA) where: Base-Base interactions energy: -24.029 where: short stacking energy: -7.943 Base-Backbone interact. energy: -0.264 local terms energy: -19.872743 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: 2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -46.841813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.841813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.841813 (E_RNA) where: Base-Base interactions energy: -17.593 where: short stacking energy: -14.265 Base-Backbone interact. energy: -0.064 local terms energy: -29.184352 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -65.336168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.336168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.336168 (E_RNA) where: Base-Base interactions energy: -33.264 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.103 local terms energy: -31.969869 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.631 flat angles P-C4'-P energy: -4.040 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: 2, replica: 2 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -54.639915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.639915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.639915 (E_RNA) where: Base-Base interactions energy: -21.418 where: short stacking energy: -20.730 Base-Backbone interact. energy: -0.059 local terms energy: -33.163041 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.503 flat angles P-C4'-P energy: -4.813 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: 3, replica: 1 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -61.768607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.768607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.768607 (E_RNA) where: Base-Base interactions energy: -25.230 where: short stacking energy: -23.206 Base-Backbone interact. energy: -0.003 local terms energy: -36.535641 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -7.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -63.467154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.467154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.467154 (E_RNA) where: Base-Base interactions energy: -28.735 where: short stacking energy: -16.930 Base-Backbone interact. energy: -0.038 local terms energy: -34.694042 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -5.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -49.909180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.909180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.909180 (E_RNA) where: Base-Base interactions energy: -22.128 where: short stacking energy: -22.128 Base-Backbone interact. energy: -0.021 local terms energy: -27.759875 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -6.754 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -54.244089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.244089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.244089 (E_RNA) where: Base-Base interactions energy: -24.641 where: short stacking energy: -24.641 Base-Backbone interact. energy: -0.007 local terms energy: -29.595678 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -3.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -46.695015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.695015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.695015 (E_RNA) where: Base-Base interactions energy: -21.788 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.013 local terms energy: -24.893576 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -6.305 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -1.817 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: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -43.534794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.534794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.534794 (E_RNA) where: Base-Base interactions energy: -11.689 where: short stacking energy: -11.561 Base-Backbone interact. energy: -0.100 local terms energy: -31.746586 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.112 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: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -40.908800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.908800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.908800 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.028 local terms energy: -26.553170 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -3.894 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -42.954876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.954876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.954876 (E_RNA) where: Base-Base interactions energy: -11.787 where: short stacking energy: -11.787 Base-Backbone interact. energy: -0.521 local terms energy: -30.647031 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -0.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -55.568605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.568605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.568605 (E_RNA) where: Base-Base interactions energy: -20.556 where: short stacking energy: -20.556 Base-Backbone interact. energy: -0.085 local terms energy: -34.927877 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.175 flat angles P-C4'-P energy: -5.125 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: 2, replica: 4 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -62.134232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.134232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.134232 (E_RNA) where: Base-Base interactions energy: -28.259 where: short stacking energy: -28.259 Base-Backbone interact. energy: -0.013 local terms energy: -33.861634 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -60.568104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.568104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.568104 (E_RNA) where: Base-Base interactions energy: -22.619 where: short stacking energy: -22.619 Base-Backbone interact. energy: -0.107 local terms energy: -37.841262 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -9.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -73.760035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.760035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.760035 (E_RNA) where: Base-Base interactions energy: -38.877 where: short stacking energy: -18.818 Base-Backbone interact. energy: -0.061 local terms energy: -34.822293 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.226 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -5.359 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: 5, replica: 6 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -57.111416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.111416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.111416 (E_RNA) where: Base-Base interactions energy: -26.549 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.000 local terms energy: -30.562367 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -6.254 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -3.398 tors. eta vs tors. theta energy: -6.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -48.139934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.139934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.139934 (E_RNA) where: Base-Base interactions energy: -17.342 where: short stacking energy: -17.342 Base-Backbone interact. energy: -0.098 local terms energy: -30.699446 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.150 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -3.796 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: 7, replica: 9 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -51.444216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.444216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.444216 (E_RNA) where: Base-Base interactions energy: -24.940 where: short stacking energy: -20.260 Base-Backbone interact. energy: -0.002 local terms energy: -26.502340 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -4.132 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: 8, replica: 10 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -45.096377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.096377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.096377 (E_RNA) where: Base-Base interactions energy: -18.377 where: short stacking energy: -16.849 Base-Backbone interact. energy: -0.130 local terms energy: -26.590138 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -6.612 flat angles C4'-P-C4' energy: -5.056 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -2.108 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: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -39.035102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.035102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.035102 (E_RNA) where: Base-Base interactions energy: -15.005 where: short stacking energy: -5.518 Base-Backbone interact. energy: -0.037 local terms energy: -23.993164 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.219 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -2.462 tors. eta vs tors. theta energy: -0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -43.947084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.947084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.947084 (E_RNA) where: Base-Base interactions energy: -18.055 where: short stacking energy: -7.722 Base-Backbone interact. energy: 0.120 local terms energy: -26.012022 where: bonds (distance) C4'-P energy: -5.182 bonds (distance) P-C4' energy: -6.676 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -4.242 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: 1, replica: 2 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -69.345223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.345223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.345223 (E_RNA) where: Base-Base interactions energy: -29.360 where: short stacking energy: -29.360 Base-Backbone interact. energy: -0.000 local terms energy: -39.985199 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -4.468 tors. eta vs tors. theta energy: -10.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -61.949987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.949987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.949987 (E_RNA) where: Base-Base interactions energy: -26.313 where: short stacking energy: -26.313 Base-Backbone interact. energy: -0.000 local terms energy: -35.636741 where: bonds (distance) C4'-P energy: -9.169 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -5.958 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: 3, replica: 4 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -55.703259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.703259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.703259 (E_RNA) where: Base-Base interactions energy: -20.782 where: short stacking energy: -20.782 Base-Backbone interact. energy: -0.009 local terms energy: -34.911498 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -6.388 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: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -56.114364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.114364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.114364 (E_RNA) where: Base-Base interactions energy: -31.551 where: short stacking energy: -9.938 Base-Backbone interact. energy: -0.360 local terms energy: -24.203010 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -0.568 tors. eta vs tors. theta energy: 0.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -50.763886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.763886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.763886 (E_RNA) where: Base-Base interactions energy: -19.177 where: short stacking energy: -15.115 Base-Backbone interact. energy: -0.124 local terms energy: -31.462141 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.095 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -5.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -52.022427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.022427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.022427 (E_RNA) where: Base-Base interactions energy: -25.627 where: short stacking energy: -17.608 Base-Backbone interact. energy: -0.103 local terms energy: -26.293169 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.485 flat angles P-C4'-P energy: -5.153 tors. eta vs tors. theta energy: 0.274 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: 5 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -53.874878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.874878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.874878 (E_RNA) where: Base-Base interactions energy: -23.879 where: short stacking energy: -22.369 Base-Backbone interact. energy: -0.008 local terms energy: -29.988084 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -6.324 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -4.938 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: 8, replica: 7 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -50.328198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.328198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.328198 (E_RNA) where: Base-Base interactions energy: -18.885 where: short stacking energy: -18.885 Base-Backbone interact. energy: -0.095 local terms energy: -31.348060 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.618 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: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -42.012940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.012940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.012940 (E_RNA) where: Base-Base interactions energy: -12.600 where: short stacking energy: -12.600 Base-Backbone interact. energy: -0.000 local terms energy: -29.412486 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -4.631 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: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -39.810376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.810376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.810376 (E_RNA) where: Base-Base interactions energy: -20.543 where: short stacking energy: -10.363 Base-Backbone interact. energy: -0.004 local terms energy: -19.263573 where: bonds (distance) C4'-P energy: -4.817 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: 1.660 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -66.873325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.873325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.873325 (E_RNA) where: Base-Base interactions energy: -36.360 where: short stacking energy: -24.126 Base-Backbone interact. energy: -0.000 local terms energy: -30.513381 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -1.193 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: 2, replica: 2 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -63.466353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.466353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.466353 (E_RNA) where: Base-Base interactions energy: -28.187 where: short stacking energy: -28.187 Base-Backbone interact. energy: -0.001 local terms energy: -35.279239 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -5.090 flat angles P-C4'-P energy: -6.207 tors. eta vs tors. theta energy: -8.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -58.484877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.484877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.484877 (E_RNA) where: Base-Base interactions energy: -26.396 where: short stacking energy: -14.334 Base-Backbone interact. energy: -0.626 local terms energy: -31.462688 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -8.842 flat angles P-C4'-P energy: -3.558 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: 4, replica: 4 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -59.748311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.748311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.748311 (E_RNA) where: Base-Base interactions energy: -27.404 where: short stacking energy: -16.471 Base-Backbone interact. energy: -0.258 local terms energy: -32.086620 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -5.688 tors. eta vs tors. theta energy: -3.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -52.872407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.872407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.872407 (E_RNA) where: Base-Base interactions energy: -22.472 where: short stacking energy: -15.810 Base-Backbone interact. energy: -0.095 local terms energy: -30.304844 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.668 tors. eta vs tors. theta energy: -3.750 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: 332 Temperature: 1.150000 Total energy: -47.663560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663560 (E_RNA) where: Base-Base interactions energy: -20.494 where: short stacking energy: -16.505 Base-Backbone interact. energy: -0.007 local terms energy: -27.161975 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -6.981 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -4.223 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: 332 Temperature: 1.200000 Total energy: -51.773135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.773135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.773135 (E_RNA) where: Base-Base interactions energy: -20.365 where: short stacking energy: -20.365 Base-Backbone interact. energy: -0.071 local terms energy: -31.337549 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -5.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -50.354860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.354860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.354860 (E_RNA) where: Base-Base interactions energy: -21.215 where: short stacking energy: -21.095 Base-Backbone interact. energy: -0.000 local terms energy: -29.139704 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -0.563 tors. eta vs tors. theta energy: -5.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -43.475665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.475665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.475665 (E_RNA) where: Base-Base interactions energy: -15.045 where: short stacking energy: -15.045 Base-Backbone interact. energy: -0.001 local terms energy: -28.430016 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: 0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -36.460432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.460432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.460432 (E_RNA) where: Base-Base interactions energy: -13.175 where: short stacking energy: -13.175 Base-Backbone interact. energy: -0.164 local terms energy: -23.121193 where: bonds (distance) C4'-P energy: -4.205 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -4.576 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -1.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -66.615773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.615773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.615773 (E_RNA) where: Base-Base interactions energy: -31.720 where: short stacking energy: -31.720 Base-Backbone interact. energy: -0.000 local terms energy: -34.895517 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -11.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -48.192360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.192360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.192360 (E_RNA) where: Base-Base interactions energy: -17.559 where: short stacking energy: -17.559 Base-Backbone interact. energy: 0.050 local terms energy: -30.683825 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -1.404 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: 3, replica: 2 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -61.614992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.614992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.614992 (E_RNA) where: Base-Base interactions energy: -27.367 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.000 local terms energy: -34.247933 where: bonds (distance) C4'-P energy: -5.088 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -5.388 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: 4, replica: 4 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -61.939867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.939867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.939867 (E_RNA) where: Base-Base interactions energy: -30.159 where: short stacking energy: -24.577 Base-Backbone interact. energy: -0.000 local terms energy: -31.780488 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: -7.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -53.864341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.864341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.864341 (E_RNA) where: Base-Base interactions energy: -24.722 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.082 local terms energy: -29.060223 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -54.690242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.690242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.690242 (E_RNA) where: Base-Base interactions energy: -33.321 where: short stacking energy: -11.675 Base-Backbone interact. energy: 0.788 local terms energy: -22.157226 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.672 tors. eta vs tors. theta energy: 2.344 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: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -53.723302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.723302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.723302 (E_RNA) where: Base-Base interactions energy: -25.530 where: short stacking energy: -13.746 Base-Backbone interact. energy: -0.165 local terms energy: -28.027812 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.416 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: 0.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -48.541240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.541240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.541240 (E_RNA) where: Base-Base interactions energy: -18.880 where: short stacking energy: -18.880 Base-Backbone interact. energy: -0.000 local terms energy: -29.661219 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -3.709 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -42.307782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.307782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.307782 (E_RNA) where: Base-Base interactions energy: -14.388 where: short stacking energy: -13.235 Base-Backbone interact. energy: -0.005 local terms energy: -27.914833 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -0.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -45.764335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.764335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.764335 (E_RNA) where: Base-Base interactions energy: -19.086 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.843 local terms energy: -25.835718 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -5.277 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: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -67.790306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.790306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.790306 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -30.847 Base-Backbone interact. energy: -0.000 local terms energy: -36.942994 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -6.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -74.129677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.129677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.129677 (E_RNA) where: Base-Base interactions energy: -34.708 where: short stacking energy: -34.708 Base-Backbone interact. energy: -0.000 local terms energy: -39.421750 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -11.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -55.190029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.190029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.190029 (E_RNA) where: Base-Base interactions energy: -18.756 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.001 local terms energy: -36.432847 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -5.891 tors. eta vs tors. theta energy: -5.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -52.733989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.733989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.733989 (E_RNA) where: Base-Base interactions energy: -25.643 where: short stacking energy: -20.021 Base-Backbone interact. energy: -0.147 local terms energy: -26.943952 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -3.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -48.477907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.477907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.477907 (E_RNA) where: Base-Base interactions energy: -19.931 where: short stacking energy: -19.437 Base-Backbone interact. energy: -0.360 local terms energy: -28.187200 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -53.895865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.895865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.895865 (E_RNA) where: Base-Base interactions energy: -21.801 where: short stacking energy: -14.103 Base-Backbone interact. energy: -0.036 local terms energy: -32.058289 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -45.982076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.982076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.982076 (E_RNA) where: Base-Base interactions energy: -17.837 where: short stacking energy: -17.837 Base-Backbone interact. energy: 0.012 local terms energy: -28.156962 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -5.825 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -5.029 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: 8, replica: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -40.387248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.387248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.387248 (E_RNA) where: Base-Base interactions energy: -12.143 where: short stacking energy: -9.894 Base-Backbone interact. energy: -0.153 local terms energy: -28.090667 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: 0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -44.481430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.481430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.481430 (E_RNA) where: Base-Base interactions energy: -15.771 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.076 local terms energy: -28.634883 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.342 flat angles P-C4'-P energy: -3.174 tors. eta vs tors. theta energy: -2.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -49.888015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.888015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.888015 (E_RNA) where: Base-Base interactions energy: -20.005 where: short stacking energy: -15.703 Base-Backbone interact. energy: -0.121 local terms energy: -29.762351 where: bonds (distance) C4'-P energy: -4.542 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -6.191 tors. eta vs tors. theta energy: -5.203 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: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -61.634800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.634800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.634800 (E_RNA) where: Base-Base interactions energy: -28.611 where: short stacking energy: -28.611 Base-Backbone interact. energy: -0.002 local terms energy: -33.021477 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.237 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: -6.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -64.845021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.845021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.845021 (E_RNA) where: Base-Base interactions energy: -32.830 where: short stacking energy: -24.092 Base-Backbone interact. energy: -0.001 local terms energy: -32.014027 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -2.774 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -60.603258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.603258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.603258 (E_RNA) where: Base-Base interactions energy: -24.670 where: short stacking energy: -24.670 Base-Backbone interact. energy: -0.008 local terms energy: -35.925018 where: bonds (distance) C4'-P energy: -6.074 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -5.700 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: 4, replica: 7 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -62.236490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.236490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.236490 (E_RNA) where: Base-Base interactions energy: -31.096 where: short stacking energy: -20.869 Base-Backbone interact. energy: -0.005 local terms energy: -31.136359 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -56.218908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.218908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.218908 (E_RNA) where: Base-Base interactions energy: -23.203 where: short stacking energy: -19.413 Base-Backbone interact. energy: -0.014 local terms energy: -33.001689 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -4.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -60.867389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.867389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.867389 (E_RNA) where: Base-Base interactions energy: -26.018 where: short stacking energy: -26.018 Base-Backbone interact. energy: -0.001 local terms energy: -34.847896 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -8.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -53.842979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.842979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.842979 (E_RNA) where: Base-Base interactions energy: -25.930 where: short stacking energy: -25.930 Base-Backbone interact. energy: -0.002 local terms energy: -27.911217 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -5.600 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -3.188 tors. eta vs tors. theta energy: -5.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -47.450160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.450160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.450160 (E_RNA) where: Base-Base interactions energy: -17.928 where: short stacking energy: -17.928 Base-Backbone interact. energy: -0.018 local terms energy: -29.504600 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.850 flat angles P-C4'-P energy: -5.440 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: 9, replica: 1 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -40.960153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.960153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.960153 (E_RNA) where: Base-Base interactions energy: -12.763 where: short stacking energy: -12.763 Base-Backbone interact. energy: -0.018 local terms energy: -28.179177 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -4.285 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: 335 Temperature: 1.350000 Total energy: -40.579853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.579853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.579853 (E_RNA) where: Base-Base interactions energy: -10.733 where: short stacking energy: -10.733 Base-Backbone interact. energy: -0.008 local terms energy: -29.838020 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -3.188 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: 1, replica: 4 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -63.012106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.012106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.012106 (E_RNA) where: Base-Base interactions energy: -29.795 where: short stacking energy: -28.898 Base-Backbone interact. energy: -0.012 local terms energy: -33.205233 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.271 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -8.259 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: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -62.968988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.968988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.968988 (E_RNA) where: Base-Base interactions energy: -28.540 where: short stacking energy: -28.540 Base-Backbone interact. energy: -0.000 local terms energy: -34.428796 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -6.618 tors. eta vs tors. theta energy: -6.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -58.928311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.928311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.928311 (E_RNA) where: Base-Base interactions energy: -24.901 where: short stacking energy: -24.901 Base-Backbone interact. energy: -0.004 local terms energy: -34.022691 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -6.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -50.020589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020589 (E_RNA) where: Base-Base interactions energy: -16.422 where: short stacking energy: -16.295 Base-Backbone interact. energy: -0.141 local terms energy: -33.458264 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -5.028 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: 5, replica: 3 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -54.581983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.581983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.581983 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -21.099 Base-Backbone interact. energy: -0.000 local terms energy: -33.482480 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -6.236 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: 2 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -52.750765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.750765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.750765 (E_RNA) where: Base-Base interactions energy: -22.249 where: short stacking energy: -19.870 Base-Backbone interact. energy: -0.000 local terms energy: -30.501107 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -6.102 flat angles P-C4'-P energy: -5.011 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: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -47.273856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.273856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.273856 (E_RNA) where: Base-Base interactions energy: -18.812 where: short stacking energy: -18.812 Base-Backbone interact. energy: -0.084 local terms energy: -28.378429 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -4.778 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: 336 Temperature: 1.250000 Total energy: -46.489451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489451 (E_RNA) where: Base-Base interactions energy: -16.537 where: short stacking energy: -14.308 Base-Backbone interact. energy: 0.075 local terms energy: -30.027642 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -2.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -43.832847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.832847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.832847 (E_RNA) where: Base-Base interactions energy: -16.132 where: short stacking energy: -16.132 Base-Backbone interact. energy: -0.005 local terms energy: -27.695728 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -1.828 flat angles P-C4'-P energy: -5.227 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: 10, replica: 1 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -48.995826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.995826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.995826 (E_RNA) where: Base-Base interactions energy: -16.059 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.041 local terms energy: -32.895469 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -2.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -65.043042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.043042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.043042 (E_RNA) where: Base-Base interactions energy: -27.938 where: short stacking energy: -27.938 Base-Backbone interact. energy: -0.000 local terms energy: -37.105265 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.677 flat angles P-C4'-P energy: -5.472 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: 2, replica: 8 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -75.490874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.490874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.490874 (E_RNA) where: Base-Base interactions energy: -38.196 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.002 local terms energy: -37.292960 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.384 flat angles P-C4'-P energy: -4.703 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: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -56.245586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.245586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.245586 (E_RNA) where: Base-Base interactions energy: -23.010 where: short stacking energy: -23.010 Base-Backbone interact. energy: -0.013 local terms energy: -33.222627 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -2.968 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -50.329032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.329032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.329032 (E_RNA) where: Base-Base interactions energy: -21.348 where: short stacking energy: -21.348 Base-Backbone interact. energy: -0.000 local terms energy: -28.981319 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -3.480 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -5.920 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: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -48.718608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.718608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.718608 (E_RNA) where: Base-Base interactions energy: -21.151 where: short stacking energy: -11.295 Base-Backbone interact. energy: -0.029 local terms energy: -27.538388 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -4.206 flat angles P-C4'-P energy: -3.598 tors. eta vs tors. theta energy: -3.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -52.426753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.426753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.426753 (E_RNA) where: Base-Base interactions energy: -21.424 where: short stacking energy: -21.189 Base-Backbone interact. energy: -0.000 local terms energy: -31.002825 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -4.528 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: 7, replica: 2 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -50.719722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.719722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.719722 (E_RNA) where: Base-Base interactions energy: -23.765 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.073 local terms energy: -26.882497 where: bonds (distance) C4'-P energy: -6.312 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -41.227282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.227282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.227282 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.022 local terms energy: -29.148769 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.677 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -44.961380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.961380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.961380 (E_RNA) where: Base-Base interactions energy: -24.924 where: short stacking energy: -18.703 Base-Backbone interact. energy: -0.083 local terms energy: -19.954516 where: bonds (distance) C4'-P energy: -0.550 bonds (distance) P-C4' energy: -5.246 flat angles C4'-P-C4' energy: -4.365 flat angles P-C4'-P energy: -5.574 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: 10, replica: 1 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -45.553552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.553552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.553552 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.000 local terms energy: -30.255908 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -65.306920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.306920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.306920 (E_RNA) where: Base-Base interactions energy: -32.772 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.077 local terms energy: -32.458214 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -5.001 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: 2, replica: 4 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -76.882008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.882008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.882008 (E_RNA) where: Base-Base interactions energy: -42.717 where: short stacking energy: -19.980 Base-Backbone interact. energy: -0.433 local terms energy: -33.731324 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -6.259 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: 3, replica: 3 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -63.949310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.949310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.949310 (E_RNA) where: Base-Base interactions energy: -28.409 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.000 local terms energy: -35.540561 where: bonds (distance) C4'-P energy: -6.267 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -4.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -55.077200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.077200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.077200 (E_RNA) where: Base-Base interactions energy: -22.471 where: short stacking energy: -19.266 Base-Backbone interact. energy: -0.897 local terms energy: -31.709340 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -2.364 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: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -51.359737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.359737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.359737 (E_RNA) where: Base-Base interactions energy: -20.408 where: short stacking energy: -20.408 Base-Backbone interact. energy: -0.025 local terms energy: -30.926687 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.581 flat angles P-C4'-P energy: -4.360 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: 338 Temperature: 1.150000 Total energy: -55.681854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.681854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.681854 (E_RNA) where: Base-Base interactions energy: -21.896 where: short stacking energy: -21.896 Base-Backbone interact. energy: -0.000 local terms energy: -33.785570 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -5.986 flat angles P-C4'-P energy: -6.828 tors. eta vs tors. theta energy: -6.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -48.142132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.142132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.142132 (E_RNA) where: Base-Base interactions energy: -19.681 where: short stacking energy: -18.460 Base-Backbone interact. energy: 0.818 local terms energy: -29.278987 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.634 flat angles P-C4'-P energy: -4.996 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: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -42.190523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.190523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.190523 (E_RNA) where: Base-Base interactions energy: -15.112 where: short stacking energy: -13.835 Base-Backbone interact. energy: -0.281 local terms energy: -26.797743 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.842 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -0.037 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: 338 Temperature: 1.300000 Total energy: -54.189091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.189091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.189091 (E_RNA) where: Base-Base interactions energy: -22.214 where: short stacking energy: -22.148 Base-Backbone interact. energy: -0.026 local terms energy: -31.948950 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -4.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -38.081419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.081419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.081419 (E_RNA) where: Base-Base interactions energy: -11.312 where: short stacking energy: -10.883 Base-Backbone interact. energy: -0.137 local terms energy: -26.632609 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.626 tors. eta vs tors. theta energy: -0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -69.396998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.396998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.396998 (E_RNA) where: Base-Base interactions energy: -35.981 where: short stacking energy: -24.370 Base-Backbone interact. energy: -0.017 local terms energy: -33.398692 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -4.925 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: 3 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -61.503252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.503252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.503252 (E_RNA) where: Base-Base interactions energy: -28.576 where: short stacking energy: -20.422 Base-Backbone interact. energy: -0.026 local terms energy: -32.900863 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -60.139824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.139824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.139824 (E_RNA) where: Base-Base interactions energy: -24.528 where: short stacking energy: -24.528 Base-Backbone interact. energy: -0.045 local terms energy: -35.566337 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -5.710 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: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -56.012997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.012997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.012997 (E_RNA) where: Base-Base interactions energy: -24.943 where: short stacking energy: -24.559 Base-Backbone interact. energy: -0.010 local terms energy: -31.060518 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -6.637 flat angles P-C4'-P energy: -6.526 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: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -49.304548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.304548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.304548 (E_RNA) where: Base-Base interactions energy: -19.819 where: short stacking energy: -19.819 Base-Backbone interact. energy: 0.009 local terms energy: -29.494799 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -2.691 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -45.323791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.323791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.323791 (E_RNA) where: Base-Base interactions energy: -16.482 where: short stacking energy: -14.538 Base-Backbone interact. energy: -0.058 local terms energy: -28.784517 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -1.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -44.730076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.730076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.730076 (E_RNA) where: Base-Base interactions energy: -14.508 where: short stacking energy: -13.230 Base-Backbone interact. energy: -0.382 local terms energy: -29.839904 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.382 tors. eta vs tors. theta energy: 0.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -46.153208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.153208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.153208 (E_RNA) where: Base-Base interactions energy: -16.778 where: short stacking energy: -10.202 Base-Backbone interact. energy: -0.035 local terms energy: -29.339680 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.108 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -2.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -45.952416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.952416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.952416 (E_RNA) where: Base-Base interactions energy: -17.132 where: short stacking energy: -17.132 Base-Backbone interact. energy: -0.000 local terms energy: -28.820234 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -6.269 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -2.644 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -41.729281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.729281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.729281 (E_RNA) where: Base-Base interactions energy: -17.150 where: short stacking energy: -17.150 Base-Backbone interact. energy: -0.005 local terms energy: -24.574603 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -5.487 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -67.585495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.585495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.585495 (E_RNA) where: Base-Base interactions energy: -28.955 where: short stacking energy: -28.955 Base-Backbone interact. energy: -0.000 local terms energy: -38.630338 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -9.006 flat angles P-C4'-P energy: -6.431 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: 2, replica: 8 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -68.974631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.974631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.974631 (E_RNA) where: Base-Base interactions energy: -34.363 where: short stacking energy: -28.374 Base-Backbone interact. energy: -0.000 local terms energy: -34.610808 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -5.385 tors. eta vs tors. theta energy: -7.642 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: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -60.440121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.440121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.440121 (E_RNA) where: Base-Base interactions energy: -24.813 where: short stacking energy: -24.813 Base-Backbone interact. energy: -0.195 local terms energy: -35.432125 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -4.409 tors. eta vs tors. theta energy: -7.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -56.187103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.187103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.187103 (E_RNA) where: Base-Base interactions energy: -25.766 where: short stacking energy: -25.766 Base-Backbone interact. energy: -0.000 local terms energy: -30.420670 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -5.039 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: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -58.165768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.165768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.165768 (E_RNA) where: Base-Base interactions energy: -28.024 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.006 local terms energy: -30.136152 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -6.641 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -49.661884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.661884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.661884 (E_RNA) where: Base-Base interactions energy: -21.831 where: short stacking energy: -21.831 Base-Backbone interact. energy: -0.078 local terms energy: -27.753115 where: bonds (distance) C4'-P energy: -4.859 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -2.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -46.965964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.965964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.965964 (E_RNA) where: Base-Base interactions energy: -23.334 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.100 local terms energy: -23.531131 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -5.262 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -2.590 tors. eta vs tors. theta energy: -2.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -45.680524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.680524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.680524 (E_RNA) where: Base-Base interactions energy: -21.554 where: short stacking energy: -10.112 Base-Backbone interact. energy: 0.341 local terms energy: -24.467612 where: bonds (distance) C4'-P energy: -6.243 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -5.183 tors. eta vs tors. theta energy: 0.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -49.956902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.956902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.956902 (E_RNA) where: Base-Base interactions energy: -16.631 where: short stacking energy: -16.631 Base-Backbone interact. energy: -0.000 local terms energy: -33.325965 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -46.519905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.519905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.519905 (E_RNA) where: Base-Base interactions energy: -14.156 where: short stacking energy: -14.156 Base-Backbone interact. energy: -0.019 local terms energy: -32.344965 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -6.300 tors. eta vs tors. theta energy: -3.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -62.011659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.011659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.011659 (E_RNA) where: Base-Base interactions energy: -27.675 where: short stacking energy: -27.675 Base-Backbone interact. energy: -0.000 local terms energy: -34.336806 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -6.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -64.733197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.733197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.733197 (E_RNA) where: Base-Base interactions energy: -30.832 where: short stacking energy: -21.636 Base-Backbone interact. energy: -0.011 local terms energy: -33.889638 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -50.678073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.678073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.678073 (E_RNA) where: Base-Base interactions energy: -20.105 where: short stacking energy: -20.105 Base-Backbone interact. energy: -0.063 local terms energy: -30.510441 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -3.373 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: 4, replica: 4 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -54.975979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.975979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.975979 (E_RNA) where: Base-Base interactions energy: -23.650 where: short stacking energy: -23.650 Base-Backbone interact. energy: 0.070 local terms energy: -31.395449 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -1.933 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: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -60.523932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.523932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.523932 (E_RNA) where: Base-Base interactions energy: -33.658 where: short stacking energy: -33.658 Base-Backbone interact. energy: -0.000 local terms energy: -26.865698 where: bonds (distance) C4'-P energy: -4.533 bonds (distance) P-C4' energy: -1.298 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -9.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -56.592209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.592209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.592209 (E_RNA) where: Base-Base interactions energy: -23.832 where: short stacking energy: -20.186 Base-Backbone interact. energy: -0.097 local terms energy: -32.662424 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -6.975 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: 7, replica: 7 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -52.232484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.232484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.232484 (E_RNA) where: Base-Base interactions energy: -19.905 where: short stacking energy: -19.590 Base-Backbone interact. energy: -0.063 local terms energy: -32.263998 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -4.586 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: 8, replica: 9 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -49.421977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.421977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.421977 (E_RNA) where: Base-Base interactions energy: -18.591 where: short stacking energy: -18.591 Base-Backbone interact. energy: -0.006 local terms energy: -30.825259 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -4.443 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: 9, replica: 10 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -49.036978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.036978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.036978 (E_RNA) where: Base-Base interactions energy: -20.795 where: short stacking energy: -20.795 Base-Backbone interact. energy: -0.000 local terms energy: -28.241483 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -1.814 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: 10, replica: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -44.282996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.282996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.282996 (E_RNA) where: Base-Base interactions energy: -14.978 where: short stacking energy: -14.978 Base-Backbone interact. energy: -0.028 local terms energy: -29.276816 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -84.255461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.255461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.255461 (E_RNA) where: Base-Base interactions energy: -47.916 where: short stacking energy: -31.225 Base-Backbone interact. energy: -0.004 local terms energy: -36.335300 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -6.085 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -7.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -58.628905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.628905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.628905 (E_RNA) where: Base-Base interactions energy: -24.598 where: short stacking energy: -24.598 Base-Backbone interact. energy: -0.097 local terms energy: -33.933868 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -3.257 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -53.862983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.862983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.862983 (E_RNA) where: Base-Base interactions energy: -23.714 where: short stacking energy: -23.714 Base-Backbone interact. energy: -0.002 local terms energy: -30.146489 where: bonds (distance) C4'-P energy: -6.849 bonds (distance) P-C4' energy: -6.334 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -2.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -53.567525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.567525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.567525 (E_RNA) where: Base-Base interactions energy: -25.826 where: short stacking energy: -19.356 Base-Backbone interact. energy: -0.012 local terms energy: -27.729404 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -5.779 flat angles P-C4'-P energy: -4.884 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: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -60.170433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.170433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.170433 (E_RNA) where: Base-Base interactions energy: -26.535 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.046 local terms energy: -33.589616 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -6.497 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: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -52.466620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.466620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.466620 (E_RNA) where: Base-Base interactions energy: -20.683 where: short stacking energy: -20.683 Base-Backbone interact. energy: -0.001 local terms energy: -31.783088 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -53.966702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.966702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.966702 (E_RNA) where: Base-Base interactions energy: -30.941 where: short stacking energy: -17.839 Base-Backbone interact. energy: -0.610 local terms energy: -22.415467 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -2.704 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -2.985 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: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -50.572682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.572682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.572682 (E_RNA) where: Base-Base interactions energy: -23.979 where: short stacking energy: -23.979 Base-Backbone interact. energy: -0.094 local terms energy: -26.499240 where: bonds (distance) C4'-P energy: -2.894 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -47.271614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.271614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.271614 (E_RNA) where: Base-Base interactions energy: -20.794 where: short stacking energy: -20.794 Base-Backbone interact. energy: -0.080 local terms energy: -26.397601 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -2.255 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -2.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -39.505703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.505703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.505703 (E_RNA) where: Base-Base interactions energy: -13.023 where: short stacking energy: -13.023 Base-Backbone interact. energy: -0.137 local terms energy: -26.346554 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -4.131 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -86.764137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.764137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.764137 (E_RNA) where: Base-Base interactions energy: -51.353 where: short stacking energy: -28.528 Base-Backbone interact. energy: 0.434 local terms energy: -35.845151 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -5.389 tors. eta vs tors. theta energy: -8.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -59.329472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.329472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.329472 (E_RNA) where: Base-Base interactions energy: -24.800 where: short stacking energy: -24.800 Base-Backbone interact. energy: -0.096 local terms energy: -34.434338 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -6.605 tors. eta vs tors. theta energy: -4.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -57.705386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.705386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.705386 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -23.270 Base-Backbone interact. energy: -0.009 local terms energy: -34.427054 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -6.063 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: 4, replica: 1 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -56.881567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.881567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.881567 (E_RNA) where: Base-Base interactions energy: -27.357 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.044 local terms energy: -29.480630 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.863 tors. eta vs tors. theta energy: -2.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -54.626778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.626778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.626778 (E_RNA) where: Base-Base interactions energy: -26.134 where: short stacking energy: -26.115 Base-Backbone interact. energy: -0.001 local terms energy: -28.492588 where: bonds (distance) C4'-P energy: -4.785 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -47.862938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.862938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.862938 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: 0.667 local terms energy: -34.122143 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -4.981 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: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -51.123062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.123062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.123062 (E_RNA) where: Base-Base interactions energy: -23.987 where: short stacking energy: -23.987 Base-Backbone interact. energy: -0.002 local terms energy: -27.133995 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -5.129 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: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -46.841523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.841523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.841523 (E_RNA) where: Base-Base interactions energy: -19.241 where: short stacking energy: -19.241 Base-Backbone interact. energy: -0.002 local terms energy: -27.598170 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -1.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -40.468019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.468019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.468019 (E_RNA) where: Base-Base interactions energy: -12.542 where: short stacking energy: -12.542 Base-Backbone interact. energy: -0.002 local terms energy: -27.923380 where: bonds (distance) C4'-P energy: -5.520 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -3.896 tors. eta vs tors. theta energy: -2.278 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: 10, replica: 10 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -47.146606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.146606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.146606 (E_RNA) where: Base-Base interactions energy: -17.383 where: short stacking energy: -12.835 Base-Backbone interact. energy: 0.563 local terms energy: -30.326023 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -5.261 tors. eta vs tors. theta energy: -4.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -61.885459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.885459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.885459 (E_RNA) where: Base-Base interactions energy: -25.155 where: short stacking energy: -25.155 Base-Backbone interact. energy: -0.000 local terms energy: -36.730908 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -7.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -69.982745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.982745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.982745 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -26.286 Base-Backbone interact. energy: 0.234 local terms energy: -32.802278 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.276 flat angles C4'-P-C4' energy: -5.432 flat angles P-C4'-P energy: -6.417 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: 3, replica: 1 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -71.105524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.105524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.105524 (E_RNA) where: Base-Base interactions energy: -29.218 where: short stacking energy: -29.218 Base-Backbone interact. energy: -0.000 local terms energy: -41.887999 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -9.277 flat angles P-C4'-P energy: -6.422 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: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -58.048976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.048976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.048976 (E_RNA) where: Base-Base interactions energy: -23.151 where: short stacking energy: -23.151 Base-Backbone interact. energy: -0.020 local terms energy: -34.878298 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.125 flat angles P-C4'-P energy: -6.972 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: 5, replica: 9 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -52.665221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.665221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.665221 (E_RNA) where: Base-Base interactions energy: -20.226 where: short stacking energy: -20.226 Base-Backbone interact. energy: -0.057 local terms energy: -32.382661 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -4.540 tors. eta vs tors. theta energy: -4.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -49.541973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.541973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.541973 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -12.742 Base-Backbone interact. energy: -0.009 local terms energy: -32.161621 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.216 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: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -48.591712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.591712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.591712 (E_RNA) where: Base-Base interactions energy: -21.841 where: short stacking energy: -21.841 Base-Backbone interact. energy: -0.124 local terms energy: -26.627155 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -3.505 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -48.031671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.031671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.031671 (E_RNA) where: Base-Base interactions energy: -18.418 where: short stacking energy: -18.418 Base-Backbone interact. energy: -0.093 local terms energy: -29.520911 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -4.870 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -5.598 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: 9, replica: 10 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -46.090151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.090151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.090151 (E_RNA) where: Base-Base interactions energy: -19.318 where: short stacking energy: -19.318 Base-Backbone interact. energy: -0.000 local terms energy: -26.772298 where: bonds (distance) C4'-P energy: -6.085 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -5.865 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -2.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -40.436045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.436045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.436045 (E_RNA) where: Base-Base interactions energy: -14.277 where: short stacking energy: -14.277 Base-Backbone interact. energy: -0.000 local terms energy: -26.158969 where: bonds (distance) C4'-P energy: -4.562 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -6.490 tors. eta vs tors. theta energy: -0.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -65.298026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.298026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.298026 (E_RNA) where: Base-Base interactions energy: -27.881 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.011 local terms energy: -37.406346 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.939 flat angles P-C4'-P energy: -5.230 tors. eta vs tors. theta energy: -7.729 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: 2, replica: 1 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -64.566244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.566244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.566244 (E_RNA) where: Base-Base interactions energy: -24.842 where: short stacking energy: -24.842 Base-Backbone interact. energy: -1.019 local terms energy: -38.704333 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -6.246 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: 3, replica: 6 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -64.905126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.905126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.905126 (E_RNA) where: Base-Base interactions energy: -31.901 where: short stacking energy: -31.901 Base-Backbone interact. energy: -0.001 local terms energy: -33.003047 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -2.834 tors. eta vs tors. theta energy: -10.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -52.510313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.510313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.510313 (E_RNA) where: Base-Base interactions energy: -23.814 where: short stacking energy: -23.814 Base-Backbone interact. energy: -0.001 local terms energy: -28.695929 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -4.004 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: 5, replica: 3 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -57.443029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.443029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.443029 (E_RNA) where: Base-Base interactions energy: -31.122 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.522 local terms energy: -25.799393 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -6.665 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: 0.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -51.469151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.469151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.469151 (E_RNA) where: Base-Base interactions energy: -21.952 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.000 local terms energy: -29.517228 where: bonds (distance) C4'-P energy: -4.845 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -2.467 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: 7, replica: 4 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -56.604825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.604825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.604825 (E_RNA) where: Base-Base interactions energy: -25.884 where: short stacking energy: -25.884 Base-Backbone interact. energy: 0.535 local terms energy: -31.255967 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.092 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -43.648319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.648319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.648319 (E_RNA) where: Base-Base interactions energy: -15.161 where: short stacking energy: -13.087 Base-Backbone interact. energy: -0.378 local terms energy: -28.110042 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -45.779453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.779453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.779453 (E_RNA) where: Base-Base interactions energy: -21.409 where: short stacking energy: -21.409 Base-Backbone interact. energy: -0.000 local terms energy: -24.370766 where: bonds (distance) C4'-P energy: -2.072 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -1.952 tors. eta vs tors. theta energy: -9.309 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: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -44.743605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.743605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.743605 (E_RNA) where: Base-Base interactions energy: -15.466 where: short stacking energy: -9.966 Base-Backbone interact. energy: -0.070 local terms energy: -29.207730 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -1.833 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: 1, replica: 1 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -57.189699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.189699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.189699 (E_RNA) where: Base-Base interactions energy: -26.920 where: short stacking energy: -18.938 Base-Backbone interact. energy: -0.041 local terms energy: -30.229225 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -4.619 tors. eta vs tors. theta energy: -3.850 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: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -62.358182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.358182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.358182 (E_RNA) where: Base-Base interactions energy: -26.413 where: short stacking energy: -26.413 Base-Backbone interact. energy: -0.000 local terms energy: -35.944543 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -6.849 flat angles C4'-P-C4' energy: -7.884 flat angles P-C4'-P energy: -6.662 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: 3, replica: 6 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -81.376013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.376013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.376013 (E_RNA) where: Base-Base interactions energy: -48.053 where: short stacking energy: -30.810 Base-Backbone interact. energy: 0.048 local terms energy: -33.370846 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -3.748 tors. eta vs tors. theta energy: -5.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -54.077919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.077919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.077919 (E_RNA) where: Base-Base interactions energy: -19.435 where: short stacking energy: -19.435 Base-Backbone interact. energy: -0.065 local terms energy: -34.578068 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.543 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -5.436 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: 3 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -60.516732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.516732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.516732 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.020 local terms energy: -37.392787 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -8.907 flat angles P-C4'-P energy: -6.953 tors. eta vs tors. theta energy: -5.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -52.153543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.153543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.153543 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.089 local terms energy: -27.152412 where: bonds (distance) C4'-P energy: -3.791 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.317 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -48.824038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.824038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.824038 (E_RNA) where: Base-Base interactions energy: -17.889 where: short stacking energy: -17.889 Base-Backbone interact. energy: -0.088 local terms energy: -30.847035 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -5.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -44.425998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.425998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.425998 (E_RNA) where: Base-Base interactions energy: -19.280 where: short stacking energy: -19.280 Base-Backbone interact. energy: -0.086 local terms energy: -25.060025 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.598 flat angles P-C4'-P energy: -5.523 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: 7 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -40.283127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.283127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.283127 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.478 Base-Backbone interact. energy: -0.044 local terms energy: -25.761110 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.329 tors. eta vs tors. theta energy: 1.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -45.195435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.195435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.195435 (E_RNA) where: Base-Base interactions energy: -21.677 where: short stacking energy: -20.831 Base-Backbone interact. energy: -0.022 local terms energy: -23.496505 where: bonds (distance) C4'-P energy: -3.771 bonds (distance) P-C4' energy: -3.444 flat angles C4'-P-C4' energy: -7.146 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -5.398 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: 1, replica: 1 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -69.119102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.119102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.119102 (E_RNA) where: Base-Base interactions energy: -29.537 where: short stacking energy: -29.537 Base-Backbone interact. energy: -0.000 local terms energy: -39.582074 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -11.271 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: 347 Temperature: 0.950000 Total energy: -71.248893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.248893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.248893 (E_RNA) where: Base-Base interactions energy: -37.308 where: short stacking energy: -24.963 Base-Backbone interact. energy: 0.580 local terms energy: -34.521281 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -4.616 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: 347 Temperature: 1.000000 Total energy: -60.829054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.829054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.829054 (E_RNA) where: Base-Base interactions energy: -27.732 where: short stacking energy: -27.732 Base-Backbone interact. energy: -0.001 local terms energy: -33.095445 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -6.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -58.436420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.436420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.436420 (E_RNA) where: Base-Base interactions energy: -25.946 where: short stacking energy: -25.946 Base-Backbone interact. energy: -0.002 local terms energy: -32.488730 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.292 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -5.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -54.080706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.080706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.080706 (E_RNA) where: Base-Base interactions energy: -27.455 where: short stacking energy: -27.455 Base-Backbone interact. energy: -0.000 local terms energy: -26.625500 where: bonds (distance) C4'-P energy: -2.931 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.027 flat angles P-C4'-P energy: -6.414 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: 6, replica: 10 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -54.701238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.701238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.701238 (E_RNA) where: Base-Base interactions energy: -24.981 where: short stacking energy: -22.360 Base-Backbone interact. energy: -0.005 local terms energy: -29.714707 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.320 flat angles C4'-P-C4' energy: -1.933 flat angles P-C4'-P energy: -6.536 tors. eta vs tors. theta energy: -5.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -52.651860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.651860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.651860 (E_RNA) where: Base-Base interactions energy: -20.373 where: short stacking energy: -20.373 Base-Backbone interact. energy: -0.021 local terms energy: -32.257390 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.710 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -39.261627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.261627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.261627 (E_RNA) where: Base-Base interactions energy: -7.059 where: short stacking energy: -7.059 Base-Backbone interact. energy: -0.002 local terms energy: -32.200532 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -1.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -45.571246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571246 (E_RNA) where: Base-Base interactions energy: -13.734 where: short stacking energy: -13.734 Base-Backbone interact. energy: -0.000 local terms energy: -31.837573 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.734 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -7.154 tors. eta vs tors. theta energy: -5.548 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: 5 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -35.541628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.541628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.541628 (E_RNA) where: Base-Base interactions energy: -8.882 where: short stacking energy: -8.882 Base-Backbone interact. energy: -0.004 local terms energy: -26.655710 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -3.149 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: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -76.039349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.039349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.039349 (E_RNA) where: Base-Base interactions energy: -42.661 where: short stacking energy: -27.908 Base-Backbone interact. energy: -0.001 local terms energy: -33.377616 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.917 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -6.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -71.722887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.722887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.722887 (E_RNA) where: Base-Base interactions energy: -33.814 where: short stacking energy: -28.544 Base-Backbone interact. energy: -0.000 local terms energy: -37.908794 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -7.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -52.329281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.329281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.329281 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.032 local terms energy: -33.625775 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -53.994512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.994512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.994512 (E_RNA) where: Base-Base interactions energy: -25.159 where: short stacking energy: -25.159 Base-Backbone interact. energy: -0.000 local terms energy: -28.835150 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -6.014 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -3.767 tors. eta vs tors. theta energy: -6.704 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: 10 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -51.508391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.508391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.508391 (E_RNA) where: Base-Base interactions energy: -19.577 where: short stacking energy: -19.577 Base-Backbone interact. energy: -0.092 local terms energy: -31.839373 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -46.442734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.442734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.442734 (E_RNA) where: Base-Base interactions energy: -17.986 where: short stacking energy: -17.986 Base-Backbone interact. energy: -0.072 local terms energy: -28.385001 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -4.817 flat angles P-C4'-P energy: -4.331 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: 7, replica: 7 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -43.143410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.143410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.143410 (E_RNA) where: Base-Base interactions energy: -18.134 where: short stacking energy: -18.134 Base-Backbone interact. energy: -0.109 local terms energy: -24.899991 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -1.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -42.616011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.616011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.616011 (E_RNA) where: Base-Base interactions energy: -18.533 where: short stacking energy: -18.353 Base-Backbone interact. energy: -0.046 local terms energy: -24.036993 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -5.921 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -42.282680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.282680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.282680 (E_RNA) where: Base-Base interactions energy: -12.219 where: short stacking energy: -12.219 Base-Backbone interact. energy: -0.001 local terms energy: -30.062785 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.803 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: 10, replica: 4 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -49.454530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.454530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.454530 (E_RNA) where: Base-Base interactions energy: -18.175 where: short stacking energy: -11.528 Base-Backbone interact. energy: -0.002 local terms energy: -31.277591 where: bonds (distance) C4'-P energy: -7.422 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -6.334 tors. eta vs tors. theta energy: -1.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -69.400714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.400714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.400714 (E_RNA) where: Base-Base interactions energy: -37.484 where: short stacking energy: -23.807 Base-Backbone interact. energy: -0.001 local terms energy: -31.915979 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -4.176 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: 8 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -64.230699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.230699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.230699 (E_RNA) where: Base-Base interactions energy: -27.836 where: short stacking energy: -27.836 Base-Backbone interact. energy: -0.003 local terms energy: -36.391293 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.437 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -6.194 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: 3, replica: 1 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -66.042603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.042603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.042603 (E_RNA) where: Base-Base interactions energy: -33.302 where: short stacking energy: -24.832 Base-Backbone interact. energy: -0.062 local terms energy: -32.679176 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -4.397 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: 10 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -80.995366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.995366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.995366 (E_RNA) where: Base-Base interactions energy: -47.002 where: short stacking energy: -30.515 Base-Backbone interact. energy: -0.007 local terms energy: -33.986111 where: bonds (distance) C4'-P energy: -5.282 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.024 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -7.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -57.850462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.850462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.850462 (E_RNA) where: Base-Base interactions energy: -27.444 where: short stacking energy: -27.444 Base-Backbone interact. energy: -0.004 local terms energy: -30.402655 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -3.430 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -6.750 tors. eta vs tors. theta energy: -5.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -51.690023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.690023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.690023 (E_RNA) where: Base-Base interactions energy: -28.235 where: short stacking energy: -10.566 Base-Backbone interact. energy: 1.648 local terms energy: -25.102771 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -4.412 flat angles P-C4'-P energy: -1.180 tors. eta vs tors. theta energy: -3.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -55.117391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.117391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.117391 (E_RNA) where: Base-Base interactions energy: -23.181 where: short stacking energy: -23.181 Base-Backbone interact. energy: -0.000 local terms energy: -31.935694 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: -4.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -44.094566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.094566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.094566 (E_RNA) where: Base-Base interactions energy: -20.089 where: short stacking energy: -14.979 Base-Backbone interact. energy: 0.020 local terms energy: -24.025730 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.909 flat angles P-C4'-P energy: -3.744 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: 9, replica: 5 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -41.709280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.709280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.709280 (E_RNA) where: Base-Base interactions energy: -15.096 where: short stacking energy: -13.360 Base-Backbone interact. energy: -0.009 local terms energy: -26.603925 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -0.697 tors. eta vs tors. theta energy: -2.742 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: 10, replica: 4 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -45.538755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.538755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.538755 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.462 Base-Backbone interact. energy: 1.699 local terms energy: -29.247545 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -5.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -62.060063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.060063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.060063 (E_RNA) where: Base-Base interactions energy: -28.216 where: short stacking energy: -28.216 Base-Backbone interact. energy: -0.024 local terms energy: -33.820491 where: bonds (distance) C4'-P energy: -4.955 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -9.424 flat angles P-C4'-P energy: -5.034 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: 350 Temperature: 0.950000 Total energy: -66.452397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.452397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.452397 (E_RNA) where: Base-Base interactions energy: -26.768 where: short stacking energy: -26.768 Base-Backbone interact. energy: -0.000 local terms energy: -39.684503 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.918 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -9.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -68.753034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.753034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.753034 (E_RNA) where: Base-Base interactions energy: -39.885 where: short stacking energy: -19.736 Base-Backbone interact. energy: -0.131 local terms energy: -28.736821 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -1.734 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: 350 Temperature: 1.050000 Total energy: -66.903733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.903733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.903733 (E_RNA) where: Base-Base interactions energy: -36.831 where: short stacking energy: -24.295 Base-Backbone interact. energy: -0.070 local terms energy: -30.002275 where: bonds (distance) C4'-P energy: -4.089 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.426 flat angles P-C4'-P energy: -7.210 tors. eta vs tors. theta energy: -3.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -47.457133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.457133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.457133 (E_RNA) where: Base-Base interactions energy: -17.535 where: short stacking energy: -17.535 Base-Backbone interact. energy: -0.042 local terms energy: -29.880755 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -6.809 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: 6, replica: 3 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -44.562790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.562790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.562790 (E_RNA) where: Base-Base interactions energy: -20.146 where: short stacking energy: -14.887 Base-Backbone interact. energy: -0.280 local terms energy: -24.136975 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.049 flat angles P-C4'-P energy: -3.534 tors. eta vs tors. theta energy: 0.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -48.455425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.455425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.455425 (E_RNA) where: Base-Base interactions energy: -18.671 where: short stacking energy: -18.671 Base-Backbone interact. energy: -0.021 local terms energy: -29.763273 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -4.970 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -46.115498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.115498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.115498 (E_RNA) where: Base-Base interactions energy: -16.735 where: short stacking energy: -15.837 Base-Backbone interact. energy: -0.008 local terms energy: -29.372261 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -2.547 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: 9, replica: 4 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -45.290480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.290480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.290480 (E_RNA) where: Base-Base interactions energy: -20.260 where: short stacking energy: -4.550 Base-Backbone interact. energy: -0.049 local terms energy: -24.982206 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -7.074 tors. eta vs tors. theta energy: 1.679 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: 5 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -41.657219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.657219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.657219 (E_RNA) where: Base-Base interactions energy: -12.097 where: short stacking energy: -12.197 Base-Backbone interact. energy: -0.110 local terms energy: -29.450459 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -5.172 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -65.578818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.578818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.578818 (E_RNA) where: Base-Base interactions energy: -28.186 where: short stacking energy: -28.186 Base-Backbone interact. energy: -0.000 local terms energy: -37.392890 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -5.818 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: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -74.036594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.036594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.036594 (E_RNA) where: Base-Base interactions energy: -44.147 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.100 local terms energy: -29.788964 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.887 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: 3, replica: 6 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -52.503340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.503340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.503340 (E_RNA) where: Base-Base interactions energy: -22.739 where: short stacking energy: -22.739 Base-Backbone interact. energy: 0.101 local terms energy: -29.865079 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.260 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -1.369 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: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -60.514996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.514996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.514996 (E_RNA) where: Base-Base interactions energy: -30.946 where: short stacking energy: -18.183 Base-Backbone interact. energy: -0.010 local terms energy: -29.558304 where: bonds (distance) C4'-P energy: -6.217 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.377 flat angles P-C4'-P energy: -6.035 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -50.336395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.336395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.336395 (E_RNA) where: Base-Base interactions energy: -20.138 where: short stacking energy: -20.138 Base-Backbone interact. energy: -0.004 local terms energy: -30.193968 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -61.844758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.844758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.844758 (E_RNA) where: Base-Base interactions energy: -25.991 where: short stacking energy: -19.442 Base-Backbone interact. energy: -0.510 local terms energy: -35.343985 where: bonds (distance) C4'-P energy: -5.927 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -6.474 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: 7, replica: 3 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -45.300328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.300328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.300328 (E_RNA) where: Base-Base interactions energy: -23.335 where: short stacking energy: -8.265 Base-Backbone interact. energy: -0.004 local terms energy: -21.962210 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: 0.446 tors. eta vs tors. theta energy: -0.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -42.754294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.754294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.754294 (E_RNA) where: Base-Base interactions energy: -15.230 where: short stacking energy: -15.230 Base-Backbone interact. energy: -0.044 local terms energy: -27.480291 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.234 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: 9, replica: 9 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -41.443866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.443866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.443866 (E_RNA) where: Base-Base interactions energy: -16.338 where: short stacking energy: -10.740 Base-Backbone interact. energy: -0.001 local terms energy: -25.105190 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -1.475 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: 5 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -44.182788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.182788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.182788 (E_RNA) where: Base-Base interactions energy: -19.149 where: short stacking energy: -19.149 Base-Backbone interact. energy: -0.094 local terms energy: -24.939748 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: -2.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -65.210929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.210929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.210929 (E_RNA) where: Base-Base interactions energy: -32.473 where: short stacking energy: -32.473 Base-Backbone interact. energy: -0.063 local terms energy: -32.674838 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.806 flat angles P-C4'-P energy: -1.705 tors. eta vs tors. theta energy: -5.759 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: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -65.542718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.542718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.542718 (E_RNA) where: Base-Base interactions energy: -30.339 where: short stacking energy: -30.339 Base-Backbone interact. energy: -0.013 local terms energy: -35.191074 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.912 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: -6.406 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: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -58.368203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.368203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.368203 (E_RNA) where: Base-Base interactions energy: -25.600 where: short stacking energy: -18.463 Base-Backbone interact. energy: -0.049 local terms energy: -32.719118 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -7.461 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: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -59.168443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.168443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.168443 (E_RNA) where: Base-Base interactions energy: -24.830 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.098 local terms energy: -34.239908 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -7.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -56.319025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.319025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.319025 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -14.640 Base-Backbone interact. energy: 0.188 local terms energy: -33.447603 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.362 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -48.062830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.062830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.062830 (E_RNA) where: Base-Base interactions energy: -18.091 where: short stacking energy: -16.798 Base-Backbone interact. energy: -0.194 local terms energy: -29.777720 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -4.864 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: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -47.147290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.147290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.147290 (E_RNA) where: Base-Base interactions energy: -13.868 where: short stacking energy: -10.878 Base-Backbone interact. energy: -0.169 local terms energy: -33.109684 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -2.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -47.705267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.705267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.705267 (E_RNA) where: Base-Base interactions energy: -19.064 where: short stacking energy: -19.064 Base-Backbone interact. energy: -0.031 local terms energy: -28.609484 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -3.060 tors. eta vs tors. theta energy: -4.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -49.473583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.473583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.473583 (E_RNA) where: Base-Base interactions energy: -18.578 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.001 local terms energy: -30.894831 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -7.123 tors. eta vs tors. theta energy: -2.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -48.664982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.664982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.664982 (E_RNA) where: Base-Base interactions energy: -20.307 where: short stacking energy: -20.307 Base-Backbone interact. energy: -0.058 local terms energy: -28.300770 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.755 flat angles P-C4'-P energy: -2.685 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -64.875705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.875705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.875705 (E_RNA) where: Base-Base interactions energy: -32.913 where: short stacking energy: -24.262 Base-Backbone interact. energy: -0.108 local terms energy: -31.854455 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.615 tors. eta vs tors. theta energy: -4.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -65.404051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.404051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.404051 (E_RNA) where: Base-Base interactions energy: -29.797 where: short stacking energy: -29.797 Base-Backbone interact. energy: -0.000 local terms energy: -35.607456 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -9.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -50.091943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.091943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.091943 (E_RNA) where: Base-Base interactions energy: -17.947 where: short stacking energy: -17.947 Base-Backbone interact. energy: -0.062 local terms energy: -32.083263 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -5.624 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: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -59.828934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.828934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.828934 (E_RNA) where: Base-Base interactions energy: -22.712 where: short stacking energy: -22.712 Base-Backbone interact. energy: 1.018 local terms energy: -38.135050 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.672 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -5.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -51.359760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.359760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.359760 (E_RNA) where: Base-Base interactions energy: -23.455 where: short stacking energy: -21.289 Base-Backbone interact. energy: -0.026 local terms energy: -27.879077 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.075 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: 6, replica: 4 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -59.469904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.469904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.469904 (E_RNA) where: Base-Base interactions energy: -28.214 where: short stacking energy: -18.739 Base-Backbone interact. energy: -0.000 local terms energy: -31.255504 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -6.199 tors. eta vs tors. theta energy: -4.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -43.833944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.833944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.833944 (E_RNA) where: Base-Base interactions energy: -17.664 where: short stacking energy: -17.664 Base-Backbone interact. energy: -0.082 local terms energy: -26.087814 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -4.535 flat angles C4'-P-C4' energy: -4.976 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -2.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -49.883696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.883696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.883696 (E_RNA) where: Base-Base interactions energy: -16.657 where: short stacking energy: -16.657 Base-Backbone interact. energy: -0.000 local terms energy: -33.226097 where: bonds (distance) C4'-P energy: -8.122 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -56.259890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.259890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.259890 (E_RNA) where: Base-Base interactions energy: -23.702 where: short stacking energy: -23.702 Base-Backbone interact. energy: -0.014 local terms energy: -32.543738 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -6.544 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: 10, replica: 9 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -40.428257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.428257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.428257 (E_RNA) where: Base-Base interactions energy: -14.956 where: short stacking energy: -14.956 Base-Backbone interact. energy: -0.078 local terms energy: -25.394727 where: bonds (distance) C4'-P energy: -3.351 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -4.858 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -76.782695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.782695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.782695 (E_RNA) where: Base-Base interactions energy: -43.756 where: short stacking energy: -29.355 Base-Backbone interact. energy: -0.003 local terms energy: -33.023428 where: bonds (distance) C4'-P energy: -3.808 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -4.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -66.857520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.857520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.857520 (E_RNA) where: Base-Base interactions energy: -29.877 where: short stacking energy: -28.668 Base-Backbone interact. energy: -0.009 local terms energy: -36.971707 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.647 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -6.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -55.989351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.989351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.989351 (E_RNA) where: Base-Base interactions energy: -21.377 where: short stacking energy: -21.377 Base-Backbone interact. energy: -0.000 local terms energy: -34.612329 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -6.113 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: 4, replica: 1 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -70.359939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.359939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.359939 (E_RNA) where: Base-Base interactions energy: -37.342 where: short stacking energy: -28.714 Base-Backbone interact. energy: -0.000 local terms energy: -33.017556 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -3.136 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: 5, replica: 4 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -50.822406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.822406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.822406 (E_RNA) where: Base-Base interactions energy: -15.622 where: short stacking energy: -15.622 Base-Backbone interact. energy: -0.018 local terms energy: -35.182417 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.552 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -50.672481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.672481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.672481 (E_RNA) where: Base-Base interactions energy: -22.227 where: short stacking energy: -16.717 Base-Backbone interact. energy: -0.049 local terms energy: -28.395769 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.628 flat angles P-C4'-P energy: -3.949 tors. eta vs tors. theta energy: -1.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -51.119829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.119829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.119829 (E_RNA) where: Base-Base interactions energy: -22.287 where: short stacking energy: -22.287 Base-Backbone interact. energy: -0.000 local terms energy: -28.832186 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -8.324 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: 7 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -46.061664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061664 (E_RNA) where: Base-Base interactions energy: -14.122 where: short stacking energy: -13.864 Base-Backbone interact. energy: -0.012 local terms energy: -31.928083 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -3.262 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: 9, replica: 9 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -45.080938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.080938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.080938 (E_RNA) where: Base-Base interactions energy: -14.963 where: short stacking energy: -14.963 Base-Backbone interact. energy: -0.034 local terms energy: -30.084033 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.018 tors. eta vs tors. theta energy: 1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -40.296338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.296338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.296338 (E_RNA) where: Base-Base interactions energy: -15.279 where: short stacking energy: -15.193 Base-Backbone interact. energy: -0.181 local terms energy: -24.835865 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.901 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -2.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -77.468483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.468483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.468483 (E_RNA) where: Base-Base interactions energy: -44.885 where: short stacking energy: -20.516 Base-Backbone interact. energy: -0.065 local terms energy: -32.519178 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -3.885 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: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -66.636098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.636098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.636098 (E_RNA) where: Base-Base interactions energy: -39.033 where: short stacking energy: -21.902 Base-Backbone interact. energy: -0.000 local terms energy: -27.603218 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -4.554 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -5.135 tors. eta vs tors. theta energy: -3.728 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: 10 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -57.498414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.498414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.498414 (E_RNA) where: Base-Base interactions energy: -31.898 where: short stacking energy: -18.906 Base-Backbone interact. energy: -0.004 local terms energy: -25.596326 where: bonds (distance) C4'-P energy: -6.500 bonds (distance) P-C4' energy: -4.770 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -3.848 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: 4, replica: 4 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -61.192358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.192358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.192358 (E_RNA) where: Base-Base interactions energy: -30.080 where: short stacking energy: -22.648 Base-Backbone interact. energy: -0.013 local terms energy: -31.100007 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -4.835 flat angles P-C4'-P energy: -5.094 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: 5, replica: 1 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -60.833367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.833367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.833367 (E_RNA) where: Base-Base interactions energy: -31.491 where: short stacking energy: -15.326 Base-Backbone interact. energy: -0.006 local terms energy: -29.336037 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -4.503 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: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -46.451660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.451660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.451660 (E_RNA) where: Base-Base interactions energy: -21.655 where: short stacking energy: -17.230 Base-Backbone interact. energy: -0.796 local terms energy: -24.000530 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -0.722 tors. eta vs tors. theta energy: -1.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -50.882290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.882290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.882290 (E_RNA) where: Base-Base interactions energy: -26.985 where: short stacking energy: -15.919 Base-Backbone interact. energy: -0.002 local terms energy: -23.895901 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.115 flat angles P-C4'-P energy: -3.429 tors. eta vs tors. theta energy: -1.738 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: 8, replica: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -45.231891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.231891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.231891 (E_RNA) where: Base-Base interactions energy: -15.930 where: short stacking energy: -15.930 Base-Backbone interact. energy: -0.099 local terms energy: -29.203146 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -5.082 flat angles C4'-P-C4' energy: -9.194 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: -3.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -50.755594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.755594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.755594 (E_RNA) where: Base-Base interactions energy: -19.161 where: short stacking energy: -19.139 Base-Backbone interact. energy: 1.298 local terms energy: -32.892114 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.396 flat angles C4'-P-C4' energy: -5.578 flat angles P-C4'-P energy: -5.390 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: 10, replica: 3 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -42.165241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.165241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.165241 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.041 local terms energy: -21.667313 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -4.652 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: 1.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -66.882650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.882650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.882650 (E_RNA) where: Base-Base interactions energy: -34.182 where: short stacking energy: -25.726 Base-Backbone interact. energy: -0.001 local terms energy: -32.700270 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -5.028 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: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -75.119700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.119700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.119700 (E_RNA) where: Base-Base interactions energy: -43.741 where: short stacking energy: -21.416 Base-Backbone interact. energy: -0.453 local terms energy: -30.925420 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -5.247 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: 3, replica: 4 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -71.466202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.466202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.466202 (E_RNA) where: Base-Base interactions energy: -40.404 where: short stacking energy: -26.650 Base-Backbone interact. energy: -0.002 local terms energy: -31.059919 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.580 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -5.627 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: 4, replica: 10 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -72.676546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.676546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.676546 (E_RNA) where: Base-Base interactions energy: -36.602 where: short stacking energy: -32.305 Base-Backbone interact. energy: -0.475 local terms energy: -35.600014 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -3.811 tors. eta vs tors. theta energy: -9.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -61.937404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.937404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.937404 (E_RNA) where: Base-Base interactions energy: -24.349 where: short stacking energy: -24.349 Base-Backbone interact. energy: -0.000 local terms energy: -37.588040 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -4.217 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: 6, replica: 1 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -49.824124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.824124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.824124 (E_RNA) where: Base-Base interactions energy: -24.205 where: short stacking energy: -16.918 Base-Backbone interact. energy: -0.018 local terms energy: -25.601912 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.194 flat angles P-C4'-P energy: -0.943 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: 7, replica: 7 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -43.891988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.891988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.891988 (E_RNA) where: Base-Base interactions energy: -13.770 where: short stacking energy: -13.770 Base-Backbone interact. energy: -0.003 local terms energy: -30.119574 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -3.061 tors. eta vs tors. theta energy: -2.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -48.870945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.870945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.870945 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -16.567 Base-Backbone interact. energy: -0.000 local terms energy: -30.417696 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -51.648882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.648882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.648882 (E_RNA) where: Base-Base interactions energy: -20.147 where: short stacking energy: -18.519 Base-Backbone interact. energy: -0.177 local terms energy: -31.324415 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -5.817 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: 9 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -46.079854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.079854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.079854 (E_RNA) where: Base-Base interactions energy: -18.870 where: short stacking energy: -16.535 Base-Backbone interact. energy: -0.077 local terms energy: -27.132757 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -2.247 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -64.405224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.405224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.405224 (E_RNA) where: Base-Base interactions energy: -32.637 where: short stacking energy: -20.504 Base-Backbone interact. energy: -0.020 local terms energy: -31.747723 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.888 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -4.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -80.867396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.867396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.867396 (E_RNA) where: Base-Base interactions energy: -43.279 where: short stacking energy: -31.598 Base-Backbone interact. energy: 0.452 local terms energy: -38.040453 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -5.302 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: 3, replica: 4 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -58.858069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.858069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.858069 (E_RNA) where: Base-Base interactions energy: -27.074 where: short stacking energy: -18.673 Base-Backbone interact. energy: -0.017 local terms energy: -31.767633 where: bonds (distance) C4'-P energy: -7.273 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -3.858 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: 4, replica: 10 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -58.942798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.942798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.942798 (E_RNA) where: Base-Base interactions energy: -27.139 where: short stacking energy: -21.763 Base-Backbone interact. energy: -0.080 local terms energy: -31.724426 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -5.226 tors. eta vs tors. theta energy: -4.551 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: 5 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -52.911482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.911482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.911482 (E_RNA) where: Base-Base interactions energy: -22.419 where: short stacking energy: -21.870 Base-Backbone interact. energy: -0.030 local terms energy: -30.462047 where: bonds (distance) C4'-P energy: -6.325 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -4.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -51.838287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.838287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.838287 (E_RNA) where: Base-Base interactions energy: -21.202 where: short stacking energy: -21.202 Base-Backbone interact. energy: -0.000 local terms energy: -30.636203 where: bonds (distance) C4'-P energy: -5.677 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -5.691 tors. eta vs tors. theta energy: -3.705 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: 1 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -42.598839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.598839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.598839 (E_RNA) where: Base-Base interactions energy: -20.898 where: short stacking energy: -20.404 Base-Backbone interact. energy: -0.009 local terms energy: -21.691573 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -1.750 flat angles P-C4'-P energy: -1.903 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: 3 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -45.328356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.328356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.328356 (E_RNA) where: Base-Base interactions energy: -18.852 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.001 local terms energy: -26.475320 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -5.526 flat angles C4'-P-C4' energy: -6.426 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -43.544944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.544944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.544944 (E_RNA) where: Base-Base interactions energy: -12.705 where: short stacking energy: -12.705 Base-Backbone interact. energy: -0.002 local terms energy: -30.837943 where: bonds (distance) C4'-P energy: -3.369 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.201 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: 9 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -44.051848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.051848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.051848 (E_RNA) where: Base-Base interactions energy: -18.696 where: short stacking energy: -18.696 Base-Backbone interact. energy: -0.011 local terms energy: -25.344637 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -3.003 flat angles P-C4'-P energy: -2.540 tors. eta vs tors. theta energy: -5.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -60.812221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.812221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.812221 (E_RNA) where: Base-Base interactions energy: -26.187 where: short stacking energy: -21.361 Base-Backbone interact. energy: -0.403 local terms energy: -34.222884 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -6.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -61.493818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.493818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.493818 (E_RNA) where: Base-Base interactions energy: -23.939 where: short stacking energy: -23.433 Base-Backbone interact. energy: -0.000 local terms energy: -37.554260 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -5.668 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: 3, replica: 4 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -64.017828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.017828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.017828 (E_RNA) where: Base-Base interactions energy: -27.949 where: short stacking energy: -27.949 Base-Backbone interact. energy: -0.000 local terms energy: -36.068343 where: bonds (distance) C4'-P energy: -4.401 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -6.795 tors. eta vs tors. theta energy: -9.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -59.490255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.490255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.490255 (E_RNA) where: Base-Base interactions energy: -27.507 where: short stacking energy: -27.125 Base-Backbone interact. energy: -0.087 local terms energy: -31.896377 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -6.763 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -5.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -51.750190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.750190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.750190 (E_RNA) where: Base-Base interactions energy: -20.461 where: short stacking energy: -20.461 Base-Backbone interact. energy: -0.013 local terms energy: -31.276461 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -4.226 flat angles C4'-P-C4' energy: -8.434 flat angles P-C4'-P energy: -6.149 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: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -50.590710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.590710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.590710 (E_RNA) where: Base-Base interactions energy: -22.738 where: short stacking energy: -9.733 Base-Backbone interact. energy: -0.009 local terms energy: -27.843705 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -5.004 tors. eta vs tors. theta energy: -1.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -54.853857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.853857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.853857 (E_RNA) where: Base-Base interactions energy: -21.694 where: short stacking energy: -21.694 Base-Backbone interact. energy: -0.033 local terms energy: -33.127082 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -6.540 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: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -51.812521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.812521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.812521 (E_RNA) where: Base-Base interactions energy: -25.785 where: short stacking energy: -19.960 Base-Backbone interact. energy: -0.005 local terms energy: -26.022607 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: 1.657 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: 9, replica: 9 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -37.882398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.882398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.882398 (E_RNA) where: Base-Base interactions energy: -12.295 where: short stacking energy: -12.295 Base-Backbone interact. energy: -0.058 local terms energy: -25.529912 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: 0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -43.954024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.954024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.954024 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -14.468 Base-Backbone interact. energy: -0.001 local terms energy: -24.255354 where: bonds (distance) C4'-P energy: -5.924 bonds (distance) P-C4' energy: -4.657 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -1.821 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: 8 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -65.283961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.283961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.283961 (E_RNA) where: Base-Base interactions energy: -33.593 where: short stacking energy: -25.366 Base-Backbone interact. energy: -0.001 local terms energy: -31.690454 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -4.159 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: 2, replica: 4 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -55.216075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.216075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.216075 (E_RNA) where: Base-Base interactions energy: -20.419 where: short stacking energy: -20.419 Base-Backbone interact. energy: -0.003 local terms energy: -34.794593 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -7.208 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: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -53.188439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.188439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.188439 (E_RNA) where: Base-Base interactions energy: -20.784 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.006 local terms energy: -32.398308 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -4.448 tors. eta vs tors. theta energy: -4.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -49.929118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.929118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.929118 (E_RNA) where: Base-Base interactions energy: -15.644 where: short stacking energy: -15.644 Base-Backbone interact. energy: -0.095 local terms energy: -34.189922 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.033 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: 5, replica: 10 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -56.223973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.223973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.223973 (E_RNA) where: Base-Base interactions energy: -21.665 where: short stacking energy: -21.665 Base-Backbone interact. energy: -0.030 local terms energy: -34.528567 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.261 flat angles C4'-P-C4' energy: -6.932 flat angles P-C4'-P energy: -5.941 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: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -51.729751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.729751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.729751 (E_RNA) where: Base-Base interactions energy: -23.107 where: short stacking energy: -23.107 Base-Backbone interact. energy: -0.066 local terms energy: -28.557416 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -3.794 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -49.876724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.876724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.876724 (E_RNA) where: Base-Base interactions energy: -17.313 where: short stacking energy: -17.313 Base-Backbone interact. energy: 0.077 local terms energy: -32.640232 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -2.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -45.239225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.239225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.239225 (E_RNA) where: Base-Base interactions energy: -19.569 where: short stacking energy: -16.245 Base-Backbone interact. energy: -0.022 local terms energy: -25.647585 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -5.274 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: 3 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -41.177773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.177773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.177773 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.001 local terms energy: -28.110360 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -5.798 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -5.627 tors. eta vs tors. theta energy: -2.234 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: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -40.836915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.836915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.836915 (E_RNA) where: Base-Base interactions energy: -12.111 where: short stacking energy: -12.111 Base-Backbone interact. energy: -0.038 local terms energy: -28.687520 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -5.014 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: 4 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -68.648673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.648673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.648673 (E_RNA) where: Base-Base interactions energy: -33.913 where: short stacking energy: -18.420 Base-Backbone interact. energy: -0.886 local terms energy: -33.848974 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -3.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -59.269866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.269866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.269866 (E_RNA) where: Base-Base interactions energy: -24.115 where: short stacking energy: -19.649 Base-Backbone interact. energy: -0.002 local terms energy: -35.152551 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -7.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -63.752728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.752728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.752728 (E_RNA) where: Base-Base interactions energy: -30.061 where: short stacking energy: -30.061 Base-Backbone interact. energy: -0.007 local terms energy: -33.685506 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -6.357 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: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -56.171543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.171543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.171543 (E_RNA) where: Base-Base interactions energy: -23.487 where: short stacking energy: -21.981 Base-Backbone interact. energy: -0.000 local terms energy: -32.684094 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -4.544 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: 5, replica: 10 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -47.643611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.643611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.643611 (E_RNA) where: Base-Base interactions energy: -13.159 where: short stacking energy: -13.159 Base-Backbone interact. energy: -0.001 local terms energy: -34.483168 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.998 tors. eta vs tors. theta energy: -4.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -49.510318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.510318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.510318 (E_RNA) where: Base-Base interactions energy: -18.131 where: short stacking energy: -10.566 Base-Backbone interact. energy: -0.017 local terms energy: -31.362312 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -3.801 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: 7, replica: 9 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -44.269724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.269724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.269724 (E_RNA) where: Base-Base interactions energy: -11.185 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.003 local terms energy: -33.081630 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.563 flat angles P-C4'-P energy: -3.331 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: 5 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -40.255468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.255468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.255468 (E_RNA) where: Base-Base interactions energy: -8.981 where: short stacking energy: -8.981 Base-Backbone interact. energy: -0.055 local terms energy: -31.219508 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -1.392 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -50.982148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.982148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.982148 (E_RNA) where: Base-Base interactions energy: -22.590 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.100 local terms energy: -28.292060 where: bonds (distance) C4'-P energy: -4.947 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -3.712 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: 10, replica: 3 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -44.382460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.382460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.382460 (E_RNA) where: Base-Base interactions energy: -18.271 where: short stacking energy: -18.271 Base-Backbone interact. energy: -0.000 local terms energy: -26.111019 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -5.771 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -5.539 tors. eta vs tors. theta energy: -1.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -60.436065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.436065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.436065 (E_RNA) where: Base-Base interactions energy: -33.819 where: short stacking energy: -21.939 Base-Backbone interact. energy: -0.076 local terms energy: -26.541426 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -3.201 tors. eta vs tors. theta energy: 0.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -65.428131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.428131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.428131 (E_RNA) where: Base-Base interactions energy: -31.389 where: short stacking energy: -24.195 Base-Backbone interact. energy: -0.016 local terms energy: -34.024019 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -3.752 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: 3, replica: 7 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -68.503103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.503103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.503103 (E_RNA) where: Base-Base interactions energy: -32.357 where: short stacking energy: -25.093 Base-Backbone interact. energy: -0.000 local terms energy: -36.146185 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -7.530 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -4.775 tors. eta vs tors. theta energy: -7.881 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: 4, replica: 10 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -55.837356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.837356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.837356 (E_RNA) where: Base-Base interactions energy: -20.513 where: short stacking energy: -20.513 Base-Backbone interact. energy: -0.027 local terms energy: -35.296887 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -6.272 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -58.917736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.917736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.917736 (E_RNA) where: Base-Base interactions energy: -31.204 where: short stacking energy: -19.360 Base-Backbone interact. energy: -0.232 local terms energy: -27.482640 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.319 tors. eta vs tors. theta energy: -5.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -60.169907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.169907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.169907 (E_RNA) where: Base-Base interactions energy: -26.638 where: short stacking energy: -23.716 Base-Backbone interact. energy: -0.052 local terms energy: -33.480124 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -3.431 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: 7, replica: 1 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -48.155070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.155070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.155070 (E_RNA) where: Base-Base interactions energy: -21.167 where: short stacking energy: -12.892 Base-Backbone interact. energy: -0.092 local terms energy: -26.895597 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: 1.729 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -57.733820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.733820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.733820 (E_RNA) where: Base-Base interactions energy: -25.448 where: short stacking energy: -11.469 Base-Backbone interact. energy: -0.110 local terms energy: -32.175404 where: bonds (distance) C4'-P energy: -9.252 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -4.335 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -44.510727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.510727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.510727 (E_RNA) where: Base-Base interactions energy: -14.168 where: short stacking energy: -14.368 Base-Backbone interact. energy: -0.133 local terms energy: -30.209718 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -2.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -46.130068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.130068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.130068 (E_RNA) where: Base-Base interactions energy: -21.637 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.012 local terms energy: -24.481664 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.616 flat angles C4'-P-C4' energy: -2.493 flat angles P-C4'-P energy: -2.549 tors. eta vs tors. theta energy: -5.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -74.762102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.762102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.762102 (E_RNA) where: Base-Base interactions energy: -39.805 where: short stacking energy: -28.921 Base-Backbone interact. energy: -0.000 local terms energy: -34.957344 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -6.997 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -6.118 tors. eta vs tors. theta energy: -6.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -70.132435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.132435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.132435 (E_RNA) where: Base-Base interactions energy: -37.875 where: short stacking energy: -20.729 Base-Backbone interact. energy: -0.030 local terms energy: -32.227902 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -3.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -58.702318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.702318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.702318 (E_RNA) where: Base-Base interactions energy: -24.351 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.029 local terms energy: -34.322708 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -6.424 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: 4, replica: 7 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -54.845779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.845779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.845779 (E_RNA) where: Base-Base interactions energy: -24.536 where: short stacking energy: -24.536 Base-Backbone interact. energy: -0.001 local terms energy: -30.309321 where: bonds (distance) C4'-P energy: -1.320 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -6.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -47.602118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.602118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.602118 (E_RNA) where: Base-Base interactions energy: -22.242 where: short stacking energy: -22.242 Base-Backbone interact. energy: -0.003 local terms energy: -25.356770 where: bonds (distance) C4'-P energy: -5.208 bonds (distance) P-C4' energy: -6.244 flat angles C4'-P-C4' energy: -5.504 flat angles P-C4'-P energy: -6.253 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: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -48.863221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.863221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.863221 (E_RNA) where: Base-Base interactions energy: -21.100 where: short stacking energy: -16.254 Base-Backbone interact. energy: -0.009 local terms energy: -27.754111 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.265 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -52.370626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.370626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.370626 (E_RNA) where: Base-Base interactions energy: -17.512 where: short stacking energy: -17.512 Base-Backbone interact. energy: -0.004 local terms energy: -34.855275 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -4.895 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -41.766079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.766079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.766079 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -14.404 Base-Backbone interact. energy: -0.002 local terms energy: -27.359480 where: bonds (distance) C4'-P energy: -5.924 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.732 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -42.541144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.541144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.541144 (E_RNA) where: Base-Base interactions energy: -13.137 where: short stacking energy: -12.713 Base-Backbone interact. energy: -0.005 local terms energy: -29.399273 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -41.051873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.051873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.051873 (E_RNA) where: Base-Base interactions energy: -11.021 where: short stacking energy: -11.021 Base-Backbone interact. energy: -0.019 local terms energy: -30.011560 where: bonds (distance) C4'-P energy: -6.138 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -64.710379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.710379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.710379 (E_RNA) where: Base-Base interactions energy: -29.853 where: short stacking energy: -22.717 Base-Backbone interact. energy: -0.001 local terms energy: -34.856255 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.553 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -6.492 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: 10 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -63.822107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.822107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.822107 (E_RNA) where: Base-Base interactions energy: -26.471 where: short stacking energy: -26.471 Base-Backbone interact. energy: -0.003 local terms energy: -37.347890 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -3.506 tors. eta vs tors. theta energy: -9.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -69.305951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.305951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.305951 (E_RNA) where: Base-Base interactions energy: -29.914 where: short stacking energy: -29.914 Base-Backbone interact. energy: -0.000 local terms energy: -39.392110 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -3.644 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: 4, replica: 9 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -62.234620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.234620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.234620 (E_RNA) where: Base-Base interactions energy: -25.547 where: short stacking energy: -24.421 Base-Backbone interact. energy: -0.000 local terms energy: -36.687536 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -6.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -52.561704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.561704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.561704 (E_RNA) where: Base-Base interactions energy: -24.310 where: short stacking energy: -24.310 Base-Backbone interact. energy: -0.198 local terms energy: -28.053523 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -6.427 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -5.882 tors. eta vs tors. theta energy: -5.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -59.479027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.479027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.479027 (E_RNA) where: Base-Base interactions energy: -28.486 where: short stacking energy: -19.156 Base-Backbone interact. energy: -0.008 local terms energy: -30.984711 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -3.938 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: 7, replica: 2 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -48.870903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.870903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.870903 (E_RNA) where: Base-Base interactions energy: -16.842 where: short stacking energy: -16.842 Base-Backbone interact. energy: 0.296 local terms energy: -32.324938 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -4.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -41.097843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.097843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.097843 (E_RNA) where: Base-Base interactions energy: -22.311 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.078 local terms energy: -18.708956 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -2.738 flat angles P-C4'-P energy: -2.247 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: 9, replica: 1 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -45.372788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.372788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.372788 (E_RNA) where: Base-Base interactions energy: -22.153 where: short stacking energy: -18.370 Base-Backbone interact. energy: -0.090 local terms energy: -23.130060 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -3.370 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -3.059 tors. eta vs tors. theta energy: -1.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -46.379635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.379635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.379635 (E_RNA) where: Base-Base interactions energy: -16.659 where: short stacking energy: -13.804 Base-Backbone interact. energy: -0.222 local terms energy: -29.498662 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -2.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -63.055492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.055492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.055492 (E_RNA) where: Base-Base interactions energy: -30.751 where: short stacking energy: -30.751 Base-Backbone interact. energy: -0.002 local terms energy: -32.302282 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.465 flat angles P-C4'-P energy: -3.400 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: 2, replica: 8 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -68.533919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.533919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.533919 (E_RNA) where: Base-Base interactions energy: -31.217 where: short stacking energy: -31.217 Base-Backbone interact. energy: -0.023 local terms energy: -37.294198 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -8.517 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: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -58.478287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.478287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.478287 (E_RNA) where: Base-Base interactions energy: -23.154 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.001 local terms energy: -35.323513 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -7.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -71.568082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.568082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.568082 (E_RNA) where: Base-Base interactions energy: -40.988 where: short stacking energy: -29.142 Base-Backbone interact. energy: -0.040 local terms energy: -30.540112 where: bonds (distance) C4'-P energy: -1.300 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -8.286 flat angles P-C4'-P energy: -6.131 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: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -60.093980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.093980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.093980 (E_RNA) where: Base-Base interactions energy: -28.469 where: short stacking energy: -20.212 Base-Backbone interact. energy: -0.005 local terms energy: -31.620847 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -6.410 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: 6, replica: 7 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -51.659099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.659099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.659099 (E_RNA) where: Base-Base interactions energy: -19.931 where: short stacking energy: -17.540 Base-Backbone interact. energy: -0.012 local terms energy: -31.716364 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -5.078 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -57.652965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.652965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.652965 (E_RNA) where: Base-Base interactions energy: -25.706 where: short stacking energy: -25.706 Base-Backbone interact. energy: -0.000 local terms energy: -31.947260 where: bonds (distance) C4'-P energy: -4.843 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -3.065 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: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -42.339422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.339422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.339422 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.367 Base-Backbone interact. energy: -0.036 local terms energy: -27.936585 where: bonds (distance) C4'-P energy: -3.825 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -4.680 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: 9, replica: 5 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -39.048142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.048142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.048142 (E_RNA) where: Base-Base interactions energy: -12.075 where: short stacking energy: -8.031 Base-Backbone interact. energy: 0.739 local terms energy: -27.712177 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -4.666 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: 10, replica: 1 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -49.154768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.154768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.154768 (E_RNA) where: Base-Base interactions energy: -18.104 where: short stacking energy: -18.104 Base-Backbone interact. energy: -0.022 local terms energy: -31.028613 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -2.719 tors. eta vs tors. theta energy: -6.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -63.143830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.143830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.143830 (E_RNA) where: Base-Base interactions energy: -25.339 where: short stacking energy: -25.339 Base-Backbone interact. energy: -0.751 local terms energy: -37.054069 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -5.005 tors. eta vs tors. theta energy: -7.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -71.595990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.595990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.595990 (E_RNA) where: Base-Base interactions energy: -36.309 where: short stacking energy: -22.398 Base-Backbone interact. energy: -0.097 local terms energy: -35.190045 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -3.566 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -8.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -53.787730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.787730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.787730 (E_RNA) where: Base-Base interactions energy: -24.461 where: short stacking energy: -21.364 Base-Backbone interact. energy: -0.018 local terms energy: -29.308070 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -4.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -64.661489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.661489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.661489 (E_RNA) where: Base-Base interactions energy: -32.854 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.004 local terms energy: -31.803368 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -5.643 flat angles C4'-P-C4' energy: -7.210 flat angles P-C4'-P energy: -6.849 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: 5, replica: 6 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -59.577709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.577709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.577709 (E_RNA) where: Base-Base interactions energy: -22.680 where: short stacking energy: -22.680 Base-Backbone interact. energy: -0.010 local terms energy: -36.887523 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -8.019 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -7.149 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: 6, replica: 3 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -48.884135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.884135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.884135 (E_RNA) where: Base-Base interactions energy: -21.542 where: short stacking energy: -21.542 Base-Backbone interact. energy: -0.097 local terms energy: -27.245927 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.746 tors. eta vs tors. theta energy: -3.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -48.352225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.352225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.352225 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -18.788 Base-Backbone interact. energy: -0.095 local terms energy: -29.469454 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -4.553 flat angles P-C4'-P energy: -6.986 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -51.451570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.451570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.451570 (E_RNA) where: Base-Base interactions energy: -20.172 where: short stacking energy: -18.295 Base-Backbone interact. energy: -2.706 local terms energy: -28.572918 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -45.268453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.268453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.268453 (E_RNA) where: Base-Base interactions energy: -17.874 where: short stacking energy: -17.874 Base-Backbone interact. energy: -0.004 local terms energy: -27.391104 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -5.660 flat angles C4'-P-C4' energy: -4.166 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -3.509 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: 1 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -40.082998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.082998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.082998 (E_RNA) where: Base-Base interactions energy: -17.085 where: short stacking energy: -17.085 Base-Backbone interact. energy: -0.099 local terms energy: -22.899474 where: bonds (distance) C4'-P energy: -2.706 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -2.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -71.561257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.561257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.561257 (E_RNA) where: Base-Base interactions energy: -38.053 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.562 local terms energy: -32.945457 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -1.453 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: 366 Temperature: 0.950000 Total energy: -61.069779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.069779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.069779 (E_RNA) where: Base-Base interactions energy: -29.547 where: short stacking energy: -29.547 Base-Backbone interact. energy: -0.005 local terms energy: -31.517818 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -1.466 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: 9 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -58.031899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.031899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.031899 (E_RNA) where: Base-Base interactions energy: -30.018 where: short stacking energy: -14.983 Base-Backbone interact. energy: -0.083 local terms energy: -27.931288 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.250 flat angles P-C4'-P energy: -5.118 tors. eta vs tors. theta energy: -0.879 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: 4, replica: 4 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -65.133492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.133492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.133492 (E_RNA) where: Base-Base interactions energy: -31.518 where: short stacking energy: -24.028 Base-Backbone interact. energy: -0.002 local terms energy: -33.614102 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.629 flat angles P-C4'-P energy: -3.685 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: 5, replica: 3 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -54.837703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.837703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.837703 (E_RNA) where: Base-Base interactions energy: -20.680 where: short stacking energy: -20.680 Base-Backbone interact. energy: -0.000 local terms energy: -34.157118 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -6.433 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: 6, replica: 6 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -64.063234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.063234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.063234 (E_RNA) where: Base-Base interactions energy: -31.692 where: short stacking energy: -31.692 Base-Backbone interact. energy: -0.000 local terms energy: -32.371324 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.097 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -8.698 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: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -58.397039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.397039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.397039 (E_RNA) where: Base-Base interactions energy: -27.755 where: short stacking energy: -19.866 Base-Backbone interact. energy: -1.762 local terms energy: -28.880796 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.448 flat angles P-C4'-P energy: -1.918 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: 8, replica: 7 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -45.155947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.155947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.155947 (E_RNA) where: Base-Base interactions energy: -21.470 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.009 local terms energy: -23.676350 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.939 flat angles C4'-P-C4' energy: -6.207 flat angles P-C4'-P energy: -0.241 tors. eta vs tors. theta energy: -4.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -45.083035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.083035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.083035 (E_RNA) where: Base-Base interactions energy: -17.368 where: short stacking energy: -17.368 Base-Backbone interact. energy: -0.074 local terms energy: -27.641420 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -41.056629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.056629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.056629 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.000 local terms energy: -28.495736 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -2.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -79.202395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.202395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.202395 (E_RNA) where: Base-Base interactions energy: -43.117 where: short stacking energy: -31.710 Base-Backbone interact. energy: -0.010 local terms energy: -36.075433 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.650 flat angles P-C4'-P energy: -6.271 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: 2, replica: 10 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -62.953626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.953626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.953626 (E_RNA) where: Base-Base interactions energy: -28.218 where: short stacking energy: -28.218 Base-Backbone interact. energy: -0.000 local terms energy: -34.735643 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.982 flat angles P-C4'-P energy: -5.766 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: 9 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -52.469005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.469005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.469005 (E_RNA) where: Base-Base interactions energy: -23.768 where: short stacking energy: -22.494 Base-Backbone interact. energy: -0.102 local terms energy: -28.598696 where: bonds (distance) C4'-P energy: -4.575 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -6.055 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: 4, replica: 3 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -58.782892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.782892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.782892 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -21.603 Base-Backbone interact. energy: -0.001 local terms energy: -37.178240 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -5.965 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: 4 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -48.960450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.960450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.960450 (E_RNA) where: Base-Base interactions energy: -19.314 where: short stacking energy: -19.314 Base-Backbone interact. energy: -0.099 local terms energy: -29.548136 where: bonds (distance) C4'-P energy: -5.514 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -2.971 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: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -52.057102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.057102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.057102 (E_RNA) where: Base-Base interactions energy: -23.424 where: short stacking energy: -21.605 Base-Backbone interact. energy: -0.288 local terms energy: -28.345097 where: bonds (distance) C4'-P energy: -1.830 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.136 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -7.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -45.099201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.099201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.099201 (E_RNA) where: Base-Base interactions energy: -14.653 where: short stacking energy: -14.653 Base-Backbone interact. energy: -0.102 local terms energy: -30.344121 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -2.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -48.309756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.309756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.309756 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -15.014 Base-Backbone interact. energy: -0.012 local terms energy: -30.795654 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -5.626 flat angles P-C4'-P energy: -4.431 tors. eta vs tors. theta energy: -5.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -45.753158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.753158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.753158 (E_RNA) where: Base-Base interactions energy: -19.127 where: short stacking energy: -11.228 Base-Backbone interact. energy: -0.046 local terms energy: -26.579945 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -1.303 tors. eta vs tors. theta energy: -0.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -41.734209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734209 (E_RNA) where: Base-Base interactions energy: -11.696 where: short stacking energy: -11.696 Base-Backbone interact. energy: -1.069 local terms energy: -28.969285 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: 0.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -63.365699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.365699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.365699 (E_RNA) where: Base-Base interactions energy: -27.655 where: short stacking energy: -27.655 Base-Backbone interact. energy: -0.000 local terms energy: -35.711102 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -6.865 tors. eta vs tors. theta energy: -5.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -60.115449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.115449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.115449 (E_RNA) where: Base-Base interactions energy: -26.521 where: short stacking energy: -26.521 Base-Backbone interact. energy: 1.738 local terms energy: -35.332659 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.479 flat angles P-C4'-P energy: -5.937 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: 3, replica: 9 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -56.544452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.544452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.544452 (E_RNA) where: Base-Base interactions energy: -23.103 where: short stacking energy: -17.706 Base-Backbone interact. energy: -0.051 local terms energy: -33.390183 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -6.327 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: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -57.316284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.316284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.316284 (E_RNA) where: Base-Base interactions energy: -24.641 where: short stacking energy: -24.641 Base-Backbone interact. energy: -0.044 local terms energy: -32.630650 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -6.218 flat angles C4'-P-C4' energy: -8.977 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -56.666396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.666396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.666396 (E_RNA) where: Base-Base interactions energy: -22.777 where: short stacking energy: -22.033 Base-Backbone interact. energy: 0.008 local terms energy: -33.897575 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -6.942 tors. eta vs tors. theta energy: -2.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -51.688785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.688785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.688785 (E_RNA) where: Base-Base interactions energy: -18.214 where: short stacking energy: -18.214 Base-Backbone interact. energy: -0.098 local terms energy: -33.377107 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -6.676 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: 2 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -47.152185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.152185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.152185 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -13.694 Base-Backbone interact. energy: -0.060 local terms energy: -29.414690 where: bonds (distance) C4'-P energy: -5.286 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -3.162 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: 6 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -41.226980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.226980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.226980 (E_RNA) where: Base-Base interactions energy: -10.919 where: short stacking energy: -10.919 Base-Backbone interact. energy: -0.000 local terms energy: -30.307664 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.977 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: 9, replica: 1 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -41.130069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.130069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.130069 (E_RNA) where: Base-Base interactions energy: -18.789 where: short stacking energy: -14.547 Base-Backbone interact. energy: 1.687 local terms energy: -24.027963 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -4.722 flat angles P-C4'-P energy: -3.523 tors. eta vs tors. theta energy: 0.870 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: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -46.360021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.360021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.360021 (E_RNA) where: Base-Base interactions energy: -19.145 where: short stacking energy: -19.145 Base-Backbone interact. energy: -0.000 local terms energy: -27.215376 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -5.847 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: 1, replica: 10 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -68.505499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.505499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.505499 (E_RNA) where: Base-Base interactions energy: -33.308 where: short stacking energy: -33.308 Base-Backbone interact. energy: -0.000 local terms energy: -35.197757 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.288 tors. eta vs tors. theta energy: -8.041 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: 2, replica: 9 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -68.839851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.839851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.839851 (E_RNA) where: Base-Base interactions energy: -30.349 where: short stacking energy: -30.349 Base-Backbone interact. energy: -0.000 local terms energy: -38.490549 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -9.003 flat angles P-C4'-P energy: -3.773 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -58.160017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.160017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.160017 (E_RNA) where: Base-Base interactions energy: -25.942 where: short stacking energy: -20.870 Base-Backbone interact. energy: -0.119 local terms energy: -32.099004 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -53.133573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.133573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.133573 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -19.868 Base-Backbone interact. energy: -0.089 local terms energy: -33.176568 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -52.731621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.731621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.731621 (E_RNA) where: Base-Base interactions energy: -24.546 where: short stacking energy: -16.149 Base-Backbone interact. energy: -0.053 local terms energy: -28.132776 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.747 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: 6, replica: 2 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -43.702725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.702725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.702725 (E_RNA) where: Base-Base interactions energy: -20.835 where: short stacking energy: -11.674 Base-Backbone interact. energy: -0.180 local terms energy: -22.687290 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -4.484 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -2.486 tors. eta vs tors. theta energy: -0.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -48.703276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.703276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.703276 (E_RNA) where: Base-Base interactions energy: -20.470 where: short stacking energy: -16.828 Base-Backbone interact. energy: -0.092 local terms energy: -28.140945 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -3.795 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -1.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -49.443243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.443243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.443243 (E_RNA) where: Base-Base interactions energy: -20.003 where: short stacking energy: -20.003 Base-Backbone interact. energy: -0.317 local terms energy: -29.122618 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -3.723 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: 9, replica: 1 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -48.745020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.745020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.745020 (E_RNA) where: Base-Base interactions energy: -23.230 where: short stacking energy: -22.840 Base-Backbone interact. energy: 0.133 local terms energy: -25.647787 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -2.749 flat angles C4'-P-C4' energy: -4.141 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -4.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -42.709538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.709538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.709538 (E_RNA) where: Base-Base interactions energy: -21.076 where: short stacking energy: -15.994 Base-Backbone interact. energy: -0.217 local terms energy: -21.416072 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -1.935 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: 0.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -71.192955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.192955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.192955 (E_RNA) where: Base-Base interactions energy: -32.841 where: short stacking energy: -25.713 Base-Backbone interact. energy: -0.002 local terms energy: -38.350582 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -6.056 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: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -65.655507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.655507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.655507 (E_RNA) where: Base-Base interactions energy: -26.032 where: short stacking energy: -26.032 Base-Backbone interact. energy: -0.000 local terms energy: -39.623008 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -6.853 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: 370 Temperature: 1.000000 Total energy: -64.240318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.240318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.240318 (E_RNA) where: Base-Base interactions energy: -34.927 where: short stacking energy: -16.193 Base-Backbone interact. energy: -0.002 local terms energy: -29.311610 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.164 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -51.799520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.799520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.799520 (E_RNA) where: Base-Base interactions energy: -18.376 where: short stacking energy: -18.376 Base-Backbone interact. energy: -0.001 local terms energy: -33.423008 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -2.862 tors. eta vs tors. theta energy: -7.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -53.087031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.087031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.087031 (E_RNA) where: Base-Base interactions energy: -24.297 where: short stacking energy: -24.297 Base-Backbone interact. energy: -0.000 local terms energy: -28.790292 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -4.147 flat angles C4'-P-C4' energy: -5.930 flat angles P-C4'-P energy: -5.333 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: 6, replica: 3 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -48.633586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.633586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.633586 (E_RNA) where: Base-Base interactions energy: -22.513 where: short stacking energy: -9.405 Base-Backbone interact. energy: -0.024 local terms energy: -26.096608 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -1.725 tors. eta vs tors. theta energy: -2.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -56.409315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.409315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.409315 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -23.735 Base-Backbone interact. energy: -0.006 local terms energy: -32.339479 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -3.719 flat angles P-C4'-P energy: -6.297 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: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -42.997598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.997598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.997598 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -15.887 Base-Backbone interact. energy: 0.048 local terms energy: -23.940165 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: 0.247 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: 9, replica: 7 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -52.337148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.337148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.337148 (E_RNA) where: Base-Base interactions energy: -25.125 where: short stacking energy: -14.182 Base-Backbone interact. energy: -0.037 local terms energy: -27.174596 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -45.718234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.718234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.718234 (E_RNA) where: Base-Base interactions energy: -22.380 where: short stacking energy: -22.380 Base-Backbone interact. energy: -0.029 local terms energy: -23.308677 where: bonds (distance) C4'-P energy: -4.346 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -3.047 tors. eta vs tors. theta energy: -4.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -64.036346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.036346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.036346 (E_RNA) where: Base-Base interactions energy: -29.378 where: short stacking energy: -29.378 Base-Backbone interact. energy: -0.070 local terms energy: -34.588574 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -5.815 tors. eta vs tors. theta energy: -5.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -63.629157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.629157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.629157 (E_RNA) where: Base-Base interactions energy: -26.164 where: short stacking energy: -26.164 Base-Backbone interact. energy: -0.001 local terms energy: -37.464342 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -8.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -55.134439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.134439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.134439 (E_RNA) where: Base-Base interactions energy: -25.942 where: short stacking energy: -21.393 Base-Backbone interact. energy: -0.101 local terms energy: -29.091413 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.194 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -3.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -51.951473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.951473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.951473 (E_RNA) where: Base-Base interactions energy: -17.193 where: short stacking energy: -17.193 Base-Backbone interact. energy: -0.000 local terms energy: -34.758643 where: bonds (distance) C4'-P energy: -6.910 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.593 flat angles P-C4'-P energy: -5.109 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -46.163521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163521 (E_RNA) where: Base-Base interactions energy: -16.623 where: short stacking energy: -8.241 Base-Backbone interact. energy: -0.180 local terms energy: -29.360378 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -5.784 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: 6, replica: 4 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -49.130848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.130848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.130848 (E_RNA) where: Base-Base interactions energy: -22.927 where: short stacking energy: -22.662 Base-Backbone interact. energy: -0.181 local terms energy: -26.022481 where: bonds (distance) C4'-P energy: -5.422 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -5.023 flat angles P-C4'-P energy: -4.585 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: 7, replica: 3 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -46.281551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.281551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.281551 (E_RNA) where: Base-Base interactions energy: -12.873 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.137 local terms energy: -33.271968 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.037 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: 8, replica: 7 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -55.051617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.051617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.051617 (E_RNA) where: Base-Base interactions energy: -26.260 where: short stacking energy: -24.894 Base-Backbone interact. energy: -0.404 local terms energy: -28.387861 where: bonds (distance) C4'-P energy: -2.442 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.822 flat angles P-C4'-P energy: -1.735 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: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -39.071348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.071348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.071348 (E_RNA) where: Base-Base interactions energy: -19.023 where: short stacking energy: -15.746 Base-Backbone interact. energy: 0.107 local terms energy: -20.154984 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -4.129 flat angles C4'-P-C4' energy: -2.480 flat angles P-C4'-P energy: -5.756 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: 10, replica: 1 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -44.187891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.187891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.187891 (E_RNA) where: Base-Base interactions energy: -14.666 where: short stacking energy: -14.666 Base-Backbone interact. energy: -0.053 local terms energy: -29.469279 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.726 flat angles P-C4'-P energy: -0.792 tors. eta vs tors. theta energy: -3.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -71.261194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.261194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.261194 (E_RNA) where: Base-Base interactions energy: -33.594 where: short stacking energy: -33.594 Base-Backbone interact. energy: -0.000 local terms energy: -37.666786 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -9.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -62.906292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.906292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.906292 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -27.956 Base-Backbone interact. energy: -0.000 local terms energy: -34.950133 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.264 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: 5 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -57.670363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.670363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.670363 (E_RNA) where: Base-Base interactions energy: -20.838 where: short stacking energy: -19.969 Base-Backbone interact. energy: -0.021 local terms energy: -36.811815 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -6.236 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: 4, replica: 8 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -59.872937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.872937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.872937 (E_RNA) where: Base-Base interactions energy: -31.503 where: short stacking energy: -17.278 Base-Backbone interact. energy: -0.227 local terms energy: -28.143351 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -1.366 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -54.861163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.861163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.861163 (E_RNA) where: Base-Base interactions energy: -23.663 where: short stacking energy: -23.210 Base-Backbone interact. energy: -0.000 local terms energy: -31.198410 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.500 flat angles C4'-P-C4' energy: -7.100 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -5.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -50.761427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.761427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.761427 (E_RNA) where: Base-Base interactions energy: -19.575 where: short stacking energy: -19.575 Base-Backbone interact. energy: -0.008 local terms energy: -31.178796 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -3.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -51.667869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.667869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.667869 (E_RNA) where: Base-Base interactions energy: -20.683 where: short stacking energy: -20.683 Base-Backbone interact. energy: -0.011 local terms energy: -30.973754 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -8.241 flat angles P-C4'-P energy: -4.846 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: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -49.738144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.738144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.738144 (E_RNA) where: Base-Base interactions energy: -20.604 where: short stacking energy: -20.383 Base-Backbone interact. energy: -0.012 local terms energy: -29.121436 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -5.890 flat angles P-C4'-P energy: -6.581 tors. eta vs tors. theta energy: -6.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -47.205017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.205017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.205017 (E_RNA) where: Base-Base interactions energy: -16.409 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.753 local terms energy: -30.043924 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -6.115 tors. eta vs tors. theta energy: -4.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -41.370269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.370269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.370269 (E_RNA) where: Base-Base interactions energy: -17.146 where: short stacking energy: -15.963 Base-Backbone interact. energy: -0.012 local terms energy: -24.211769 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -5.696 flat angles C4'-P-C4' energy: -7.328 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -0.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -68.645280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.645280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.645280 (E_RNA) where: Base-Base interactions energy: -30.539 where: short stacking energy: -27.337 Base-Backbone interact. energy: -0.001 local terms energy: -38.105373 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -5.987 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: 5 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -71.170259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.170259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.170259 (E_RNA) where: Base-Base interactions energy: -34.219 where: short stacking energy: -34.219 Base-Backbone interact. energy: -0.024 local terms energy: -36.927245 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.027 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -7.447 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: 9 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -63.761035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.761035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.761035 (E_RNA) where: Base-Base interactions energy: -27.064 where: short stacking energy: -27.064 Base-Backbone interact. energy: -0.000 local terms energy: -36.697318 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.652 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -7.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -54.128241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.128241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.128241 (E_RNA) where: Base-Base interactions energy: -20.221 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.001 local terms energy: -33.905943 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -8.287 flat angles C4'-P-C4' energy: -6.876 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -6.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -64.537403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.537403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.537403 (E_RNA) where: Base-Base interactions energy: -30.431 where: short stacking energy: -24.447 Base-Backbone interact. energy: -0.077 local terms energy: -34.029785 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.675 flat angles P-C4'-P energy: -2.808 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -47.897594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.897594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.897594 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.000 local terms energy: -32.697024 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.820 flat angles P-C4'-P energy: -6.631 tors. eta vs tors. theta energy: -4.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -52.021007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.021007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.021007 (E_RNA) where: Base-Base interactions energy: -24.028 where: short stacking energy: -21.401 Base-Backbone interact. energy: -0.001 local terms energy: -27.991470 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -5.413 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -2.797 tors. eta vs tors. theta energy: -6.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -50.375923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.375923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.375923 (E_RNA) where: Base-Base interactions energy: -16.647 where: short stacking energy: -16.298 Base-Backbone interact. energy: -0.050 local terms energy: -33.678834 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -3.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -45.978935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.978935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.978935 (E_RNA) where: Base-Base interactions energy: -17.746 where: short stacking energy: -17.746 Base-Backbone interact. energy: -0.195 local terms energy: -28.038829 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -6.738 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -3.968 tors. eta vs tors. theta energy: -1.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -38.569702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.569702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.569702 (E_RNA) where: Base-Base interactions energy: -11.724 where: short stacking energy: -11.724 Base-Backbone interact. energy: -0.028 local terms energy: -26.817594 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -3.406 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.578 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: 5 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -68.384399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.384399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.384399 (E_RNA) where: Base-Base interactions energy: -30.468 where: short stacking energy: -26.195 Base-Backbone interact. energy: -0.000 local terms energy: -37.916455 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -5.427 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: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -68.526462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.526462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.526462 (E_RNA) where: Base-Base interactions energy: -30.400 where: short stacking energy: -30.400 Base-Backbone interact. energy: -0.000 local terms energy: -38.125894 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -9.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -58.039765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.039765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.039765 (E_RNA) where: Base-Base interactions energy: -22.381 where: short stacking energy: -20.756 Base-Backbone interact. energy: -0.007 local terms energy: -35.650965 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -6.866 tors. eta vs tors. theta energy: -4.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -59.501493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.501493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.501493 (E_RNA) where: Base-Base interactions energy: -25.813 where: short stacking energy: -25.813 Base-Backbone interact. energy: -0.001 local terms energy: -33.688048 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -3.293 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: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -49.408316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.408316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.408316 (E_RNA) where: Base-Base interactions energy: -16.663 where: short stacking energy: -16.663 Base-Backbone interact. energy: -0.051 local terms energy: -32.694043 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -4.133 tors. eta vs tors. theta energy: -5.836 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: 6, replica: 8 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -51.666803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.666803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.666803 (E_RNA) where: Base-Base interactions energy: -17.252 where: short stacking energy: -17.252 Base-Backbone interact. energy: -0.000 local terms energy: -34.414937 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -5.286 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: 7, replica: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -53.799918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.799918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.799918 (E_RNA) where: Base-Base interactions energy: -25.024 where: short stacking energy: -25.024 Base-Backbone interact. energy: -0.002 local terms energy: -28.773955 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -5.802 flat angles P-C4'-P energy: -3.158 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: 6 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -49.804820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.804820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.804820 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.002 local terms energy: -29.969250 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -5.326 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -4.596 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: 1 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -41.042849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.042849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.042849 (E_RNA) where: Base-Base interactions energy: -16.489 where: short stacking energy: -16.489 Base-Backbone interact. energy: -0.016 local terms energy: -24.537555 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -5.252 flat angles C4'-P-C4' energy: -8.016 flat angles P-C4'-P energy: -1.623 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: 10, replica: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -44.810073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.810073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.810073 (E_RNA) where: Base-Base interactions energy: -16.425 where: short stacking energy: -16.425 Base-Backbone interact. energy: -0.000 local terms energy: -28.385207 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -8.833 flat angles P-C4'-P energy: -1.460 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: 5 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -64.911815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.911815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.911815 (E_RNA) where: Base-Base interactions energy: -28.098 where: short stacking energy: -28.098 Base-Backbone interact. energy: -0.001 local terms energy: -36.813425 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.871 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -8.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -71.872326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.872326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.872326 (E_RNA) where: Base-Base interactions energy: -38.034 where: short stacking energy: -14.220 Base-Backbone interact. energy: -0.393 local terms energy: -33.445842 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -4.828 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: 3, replica: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -55.819046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.819046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.819046 (E_RNA) where: Base-Base interactions energy: -23.772 where: short stacking energy: -22.214 Base-Backbone interact. energy: -0.000 local terms energy: -32.046803 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.155 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -52.795568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.795568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.795568 (E_RNA) where: Base-Base interactions energy: -26.239 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.002 local terms energy: -26.554609 where: bonds (distance) C4'-P energy: -6.872 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -1.899 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -58.350846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.350846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.350846 (E_RNA) where: Base-Base interactions energy: -25.691 where: short stacking energy: -25.396 Base-Backbone interact. energy: -0.016 local terms energy: -32.643718 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.351 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: 6, replica: 2 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -59.085937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.085937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.085937 (E_RNA) where: Base-Base interactions energy: -26.691 where: short stacking energy: -26.691 Base-Backbone interact. energy: -0.000 local terms energy: -32.394931 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -3.695 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: 7, replica: 8 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -50.534200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.534200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.534200 (E_RNA) where: Base-Base interactions energy: -20.659 where: short stacking energy: -14.766 Base-Backbone interact. energy: -0.106 local terms energy: -29.769160 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -1.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -48.394666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.394666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.394666 (E_RNA) where: Base-Base interactions energy: -21.175 where: short stacking energy: -8.695 Base-Backbone interact. energy: -0.024 local terms energy: -27.196368 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -2.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -46.470169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.470169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.470169 (E_RNA) where: Base-Base interactions energy: -18.046 where: short stacking energy: -18.046 Base-Backbone interact. energy: -0.063 local terms energy: -28.361747 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -2.951 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -7.030 tors. eta vs tors. theta energy: -4.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -45.266909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.266909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.266909 (E_RNA) where: Base-Base interactions energy: -20.149 where: short stacking energy: -12.183 Base-Backbone interact. energy: -0.009 local terms energy: -25.109393 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -0.904 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: 1, replica: 9 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -66.031447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.031447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.031447 (E_RNA) where: Base-Base interactions energy: -31.909 where: short stacking energy: -21.508 Base-Backbone interact. energy: -0.020 local terms energy: -34.103047 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.455 flat angles P-C4'-P energy: -6.444 tors. eta vs tors. theta energy: -6.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -64.871799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.871799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.871799 (E_RNA) where: Base-Base interactions energy: -29.152 where: short stacking energy: -29.152 Base-Backbone interact. energy: -0.000 local terms energy: -35.719644 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -8.811 flat angles P-C4'-P energy: -3.017 tors. eta vs tors. theta energy: -8.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -65.594412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.594412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.594412 (E_RNA) where: Base-Base interactions energy: -30.151 where: short stacking energy: -18.911 Base-Backbone interact. energy: -0.051 local terms energy: -35.392378 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -6.424 tors. eta vs tors. theta energy: -3.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -52.817579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.817579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.817579 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -25.198 Base-Backbone interact. energy: -0.000 local terms energy: -27.619195 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: 0.145 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: 376 Temperature: 1.100000 Total energy: -69.700757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.700757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.700757 (E_RNA) where: Base-Base interactions energy: -33.942 where: short stacking energy: -33.942 Base-Backbone interact. energy: -0.000 local terms energy: -35.758162 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -10.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -47.532234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.532234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.532234 (E_RNA) where: Base-Base interactions energy: -19.975 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.323 local terms energy: -27.233756 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.122 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -3.372 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: 7, replica: 1 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -45.221794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.221794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.221794 (E_RNA) where: Base-Base interactions energy: -13.700 where: short stacking energy: -13.700 Base-Backbone interact. energy: -1.056 local terms energy: -30.465396 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.804 flat angles C4'-P-C4' energy: -7.482 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -0.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -45.993120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.993120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.993120 (E_RNA) where: Base-Base interactions energy: -15.199 where: short stacking energy: -14.953 Base-Backbone interact. energy: -0.183 local terms energy: -30.611591 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.088 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -5.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -47.825411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.825411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.825411 (E_RNA) where: Base-Base interactions energy: -17.222 where: short stacking energy: -17.222 Base-Backbone interact. energy: -0.113 local terms energy: -30.490388 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.208 flat angles P-C4'-P energy: -4.522 tors. eta vs tors. theta energy: -4.408 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: 6 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -42.225123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.225123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.225123 (E_RNA) where: Base-Base interactions energy: -13.508 where: short stacking energy: -13.404 Base-Backbone interact. energy: -0.002 local terms energy: -28.715733 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -5.205 tors. eta vs tors. theta energy: 0.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -67.230840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.230840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.230840 (E_RNA) where: Base-Base interactions energy: -30.465 where: short stacking energy: -19.077 Base-Backbone interact. energy: 0.022 local terms energy: -36.787939 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.806 tors. eta vs tors. theta energy: -5.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -63.953801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.953801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.953801 (E_RNA) where: Base-Base interactions energy: -25.743 where: short stacking energy: -25.743 Base-Backbone interact. energy: -0.000 local terms energy: -38.209848 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -7.538 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: 3, replica: 7 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -65.356220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.356220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.356220 (E_RNA) where: Base-Base interactions energy: -28.214 where: short stacking energy: -20.287 Base-Backbone interact. energy: -0.006 local terms energy: -37.136503 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -4.998 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: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -57.848835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.848835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.848835 (E_RNA) where: Base-Base interactions energy: -22.688 where: short stacking energy: -22.688 Base-Backbone interact. energy: -0.007 local terms energy: -35.153750 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -4.169 tors. eta vs tors. theta energy: -7.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -49.616699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.616699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.616699 (E_RNA) where: Base-Base interactions energy: -18.928 where: short stacking energy: -17.458 Base-Backbone interact. energy: -0.056 local terms energy: -30.633453 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -2.224 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: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -55.529229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.529229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.529229 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -21.137 Base-Backbone interact. energy: -0.095 local terms energy: -29.949807 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.078 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -4.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -40.156651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.156651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.156651 (E_RNA) where: Base-Base interactions energy: -12.713 where: short stacking energy: -11.450 Base-Backbone interact. energy: -0.088 local terms energy: -27.355609 where: bonds (distance) C4'-P energy: -4.372 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: -0.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -46.594405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.594405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.594405 (E_RNA) where: Base-Base interactions energy: -18.249 where: short stacking energy: -18.249 Base-Backbone interact. energy: -0.000 local terms energy: -28.345204 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -4.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -44.729309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.729309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.729309 (E_RNA) where: Base-Base interactions energy: -20.338 where: short stacking energy: -20.338 Base-Backbone interact. energy: -0.000 local terms energy: -24.390619 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -7.738 flat angles C4'-P-C4' energy: -2.595 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -4.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -47.293726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.293726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.293726 (E_RNA) where: Base-Base interactions energy: -18.135 where: short stacking energy: -18.135 Base-Backbone interact. energy: -0.037 local terms energy: -29.121895 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -6.512 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: 1, replica: 9 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -66.651652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.651652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.651652 (E_RNA) where: Base-Base interactions energy: -28.833 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.000 local terms energy: -37.818840 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -2.735 tors. eta vs tors. theta energy: -9.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -58.287806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.287806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.287806 (E_RNA) where: Base-Base interactions energy: -26.308 where: short stacking energy: -26.308 Base-Backbone interact. energy: -0.000 local terms energy: -31.980216 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -6.481 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -63.224138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.224138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.224138 (E_RNA) where: Base-Base interactions energy: -25.578 where: short stacking energy: -25.578 Base-Backbone interact. energy: -0.004 local terms energy: -37.641997 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -6.432 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: 7 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -49.601401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.601401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.601401 (E_RNA) where: Base-Base interactions energy: -18.216 where: short stacking energy: -18.216 Base-Backbone interact. energy: 0.043 local terms energy: -31.428655 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.254 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -3.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -57.378810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.378810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.378810 (E_RNA) where: Base-Base interactions energy: -26.461 where: short stacking energy: -23.177 Base-Backbone interact. energy: -0.083 local terms energy: -30.834880 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -54.927830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.927830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.927830 (E_RNA) where: Base-Base interactions energy: -25.194 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.002 local terms energy: -29.731408 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.241 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -4.755 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: 7, replica: 3 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -46.102527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.102527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.102527 (E_RNA) where: Base-Base interactions energy: -16.339 where: short stacking energy: -12.631 Base-Backbone interact. energy: -0.075 local terms energy: -29.688959 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -3.212 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -3.356 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: 4 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -47.834630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.834630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.834630 (E_RNA) where: Base-Base interactions energy: -17.362 where: short stacking energy: -17.362 Base-Backbone interact. energy: -0.086 local terms energy: -30.386851 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -3.730 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: 6 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -40.896906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.896906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.896906 (E_RNA) where: Base-Base interactions energy: -13.501 where: short stacking energy: -13.238 Base-Backbone interact. energy: -0.080 local terms energy: -27.316030 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -41.094738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.094738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.094738 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -14.203 Base-Backbone interact. energy: -0.003 local terms energy: -26.888799 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.236 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -2.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -69.578374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.578374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.578374 (E_RNA) where: Base-Base interactions energy: -30.880 where: short stacking energy: -30.880 Base-Backbone interact. energy: -0.000 local terms energy: -38.698600 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -6.477 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: 2, replica: 2 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -68.353549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.353549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.353549 (E_RNA) where: Base-Base interactions energy: -36.039 where: short stacking energy: -26.999 Base-Backbone interact. energy: -0.002 local terms energy: -32.312990 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.867 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: 3, replica: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -60.011975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.011975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.011975 (E_RNA) where: Base-Base interactions energy: -33.776 where: short stacking energy: -24.523 Base-Backbone interact. energy: -0.002 local terms energy: -26.234766 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.795 flat angles P-C4'-P energy: -1.886 tors. eta vs tors. theta energy: -2.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -52.193568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193568 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.501 Base-Backbone interact. energy: -0.001 local terms energy: -30.691655 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -3.540 flat angles P-C4'-P energy: -4.371 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: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -47.209721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.209721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.209721 (E_RNA) where: Base-Base interactions energy: -20.518 where: short stacking energy: -20.518 Base-Backbone interact. energy: -0.007 local terms energy: -26.684676 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.792 flat angles C4'-P-C4' energy: -4.198 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -50.333383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.333383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.333383 (E_RNA) where: Base-Base interactions energy: -16.539 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.018 local terms energy: -33.776746 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -5.220 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: 10 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -52.009879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.009879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.009879 (E_RNA) where: Base-Base interactions energy: -19.077 where: short stacking energy: -19.077 Base-Backbone interact. energy: -0.000 local terms energy: -32.932530 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -5.304 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: 8, replica: 6 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -42.005734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.005734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.005734 (E_RNA) where: Base-Base interactions energy: -12.297 where: short stacking energy: -12.297 Base-Backbone interact. energy: -0.132 local terms energy: -29.576676 where: bonds (distance) C4'-P energy: -4.774 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -7.055 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: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -42.457591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.457591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.457591 (E_RNA) where: Base-Base interactions energy: -14.595 where: short stacking energy: -14.595 Base-Backbone interact. energy: -0.005 local terms energy: -27.858183 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.378 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -3.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -41.974953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.974953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.974953 (E_RNA) where: Base-Base interactions energy: -15.410 where: short stacking energy: -15.410 Base-Backbone interact. energy: -0.002 local terms energy: -26.562398 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -1.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -74.485198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.485198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.485198 (E_RNA) where: Base-Base interactions energy: -35.812 where: short stacking energy: -27.625 Base-Backbone interact. energy: -0.001 local terms energy: -38.672576 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -62.360216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.360216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.360216 (E_RNA) where: Base-Base interactions energy: -26.545 where: short stacking energy: -16.072 Base-Backbone interact. energy: -0.051 local terms energy: -35.763783 where: bonds (distance) C4'-P energy: -7.389 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.609 flat angles P-C4'-P energy: -5.978 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: 3, replica: 1 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -59.250373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.250373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.250373 (E_RNA) where: Base-Base interactions energy: -29.571 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.018 local terms energy: -29.661663 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -4.118 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -4.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -62.453889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.453889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.453889 (E_RNA) where: Base-Base interactions energy: -29.457 where: short stacking energy: -20.470 Base-Backbone interact. energy: -0.003 local terms energy: -32.994690 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.249 flat angles P-C4'-P energy: -6.452 tors. eta vs tors. theta energy: -5.014 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: 380 Temperature: 1.100000 Total energy: -54.864786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.864786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.864786 (E_RNA) where: Base-Base interactions energy: -19.784 where: short stacking energy: -19.784 Base-Backbone interact. energy: -0.001 local terms energy: -35.079257 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.963 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -4.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -47.724417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.724417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.724417 (E_RNA) where: Base-Base interactions energy: -19.758 where: short stacking energy: -13.078 Base-Backbone interact. energy: -0.167 local terms energy: -27.799779 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -5.345 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: 7, replica: 6 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -50.249583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.249583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.249583 (E_RNA) where: Base-Base interactions energy: -22.132 where: short stacking energy: -22.132 Base-Backbone interact. energy: -0.001 local terms energy: -28.116791 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -4.306 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -6.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -56.378315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.378315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.378315 (E_RNA) where: Base-Base interactions energy: -27.818 where: short stacking energy: -27.818 Base-Backbone interact. energy: -0.084 local terms energy: -28.476057 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -3.642 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -6.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -47.794525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.794525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.794525 (E_RNA) where: Base-Base interactions energy: -17.835 where: short stacking energy: -16.768 Base-Backbone interact. energy: -0.031 local terms energy: -29.929056 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -4.871 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: 10, replica: 4 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -39.228937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.228937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.228937 (E_RNA) where: Base-Base interactions energy: -15.548 where: short stacking energy: -15.548 Base-Backbone interact. energy: -0.005 local terms energy: -23.675655 where: bonds (distance) C4'-P energy: -2.888 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -5.272 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: -4.757 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: 1, replica: 9 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -60.404587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.404587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.404587 (E_RNA) where: Base-Base interactions energy: -24.751 where: short stacking energy: -23.307 Base-Backbone interact. energy: 0.586 local terms energy: -36.240095 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -7.403 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: 1 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -59.086120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.086120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.086120 (E_RNA) where: Base-Base interactions energy: -25.425 where: short stacking energy: -25.425 Base-Backbone interact. energy: -0.079 local terms energy: -33.581978 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.663 flat angles P-C4'-P energy: -5.871 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: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -61.977833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.977833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.977833 (E_RNA) where: Base-Base interactions energy: -30.398 where: short stacking energy: -19.569 Base-Backbone interact. energy: -0.064 local terms energy: -31.516395 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.769 flat angles P-C4'-P energy: -5.421 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: 4, replica: 5 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -61.194368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.194368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.194368 (E_RNA) where: Base-Base interactions energy: -28.375 where: short stacking energy: -28.375 Base-Backbone interact. energy: -0.000 local terms energy: -32.819230 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.791 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -4.745 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: 5, replica: 3 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -52.702105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.702105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.702105 (E_RNA) where: Base-Base interactions energy: -21.008 where: short stacking energy: -21.008 Base-Backbone interact. energy: -0.005 local terms energy: -31.688377 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -6.948 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -6.193 tors. eta vs tors. theta energy: -5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -43.834292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.834292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.834292 (E_RNA) where: Base-Base interactions energy: -15.226 where: short stacking energy: -12.154 Base-Backbone interact. energy: -0.008 local terms energy: -28.600302 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -2.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -44.977800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.977800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.977800 (E_RNA) where: Base-Base interactions energy: -14.966 where: short stacking energy: -9.048 Base-Backbone interact. energy: -0.016 local terms energy: -29.995734 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -6.016 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -47.789591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.789591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.789591 (E_RNA) where: Base-Base interactions energy: -18.165 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.025 local terms energy: -29.598925 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.823 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -44.097581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.097581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.097581 (E_RNA) where: Base-Base interactions energy: -14.157 where: short stacking energy: -14.157 Base-Backbone interact. energy: -0.152 local terms energy: -29.788965 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -3.161 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: 381 Temperature: 1.350000 Total energy: -43.743883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.743883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.743883 (E_RNA) where: Base-Base interactions energy: -16.448 where: short stacking energy: -15.310 Base-Backbone interact. energy: -0.080 local terms energy: -27.215413 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.824 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -3.680 tors. eta vs tors. theta energy: -2.983 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: 1 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -57.628194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.628194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.628194 (E_RNA) where: Base-Base interactions energy: -24.985 where: short stacking energy: -24.985 Base-Backbone interact. energy: -0.000 local terms energy: -32.642442 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -5.553 flat angles P-C4'-P energy: -7.441 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: 2, replica: 9 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -74.605365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.605365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.605365 (E_RNA) where: Base-Base interactions energy: -33.588 where: short stacking energy: -33.588 Base-Backbone interact. energy: -0.000 local terms energy: -41.017652 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -11.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -57.354858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.354858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.354858 (E_RNA) where: Base-Base interactions energy: -21.783 where: short stacking energy: -21.783 Base-Backbone interact. energy: -0.002 local terms energy: -35.569106 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -6.418 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -52.466009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.466009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.466009 (E_RNA) where: Base-Base interactions energy: -16.941 where: short stacking energy: -16.941 Base-Backbone interact. energy: -0.003 local terms energy: -35.522530 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -5.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -56.738819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.738819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.738819 (E_RNA) where: Base-Base interactions energy: -20.609 where: short stacking energy: -20.609 Base-Backbone interact. energy: -0.004 local terms energy: -36.126549 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -9.189 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: 3 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -51.726491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.726491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.726491 (E_RNA) where: Base-Base interactions energy: -20.950 where: short stacking energy: -20.950 Base-Backbone interact. energy: -0.032 local terms energy: -30.744277 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -3.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -44.324079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.324079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.324079 (E_RNA) where: Base-Base interactions energy: -13.850 where: short stacking energy: -13.850 Base-Backbone interact. energy: -0.088 local terms energy: -30.385960 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.941 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: 8, replica: 7 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -52.472262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.472262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.472262 (E_RNA) where: Base-Base interactions energy: -18.814 where: short stacking energy: -18.814 Base-Backbone interact. energy: -0.000 local terms energy: -33.658158 where: bonds (distance) C4'-P energy: -6.008 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.181 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -47.657802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.657802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.657802 (E_RNA) where: Base-Base interactions energy: -25.658 where: short stacking energy: -13.472 Base-Backbone interact. energy: -0.823 local terms energy: -21.176114 where: bonds (distance) C4'-P energy: -3.840 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: 1.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -40.663503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.663503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.663503 (E_RNA) where: Base-Base interactions energy: -10.679 where: short stacking energy: -10.679 Base-Backbone interact. energy: 0.551 local terms energy: -30.535132 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -65.567033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.567033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.567033 (E_RNA) where: Base-Base interactions energy: -32.632 where: short stacking energy: -24.095 Base-Backbone interact. energy: -0.076 local terms energy: -32.859097 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -3.840 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: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -69.057686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.057686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.057686 (E_RNA) where: Base-Base interactions energy: -33.313 where: short stacking energy: -19.789 Base-Backbone interact. energy: -0.029 local terms energy: -35.715562 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -6.801 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: 2 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -57.232229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.232229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.232229 (E_RNA) where: Base-Base interactions energy: -24.674 where: short stacking energy: -24.674 Base-Backbone interact. energy: -0.040 local terms energy: -32.517600 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -5.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -54.930515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.930515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.930515 (E_RNA) where: Base-Base interactions energy: -23.616 where: short stacking energy: -23.616 Base-Backbone interact. energy: -0.001 local terms energy: -31.313372 where: bonds (distance) C4'-P energy: -5.265 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -5.280 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: 5, replica: 5 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -50.998095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.998095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.998095 (E_RNA) where: Base-Base interactions energy: -24.291 where: short stacking energy: -15.799 Base-Backbone interact. energy: -0.021 local terms energy: -26.686132 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -2.236 tors. eta vs tors. theta energy: -0.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -44.740279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.740279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.740279 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -16.737 Base-Backbone interact. energy: -0.005 local terms energy: -27.998444 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -2.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -53.278961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.278961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.278961 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -12.371 Base-Backbone interact. energy: -0.003 local terms energy: -28.766011 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.737 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -50.403959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.403959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.403959 (E_RNA) where: Base-Base interactions energy: -26.830 where: short stacking energy: -15.898 Base-Backbone interact. energy: -0.051 local terms energy: -23.522864 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -2.205 flat angles P-C4'-P energy: -3.088 tors. eta vs tors. theta energy: -1.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -47.513140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.513140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.513140 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.000 local terms energy: -29.131502 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -3.244 tors. eta vs tors. theta energy: -7.862 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: 10, replica: 10 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -45.666551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.666551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.666551 (E_RNA) where: Base-Base interactions energy: -20.649 where: short stacking energy: -20.649 Base-Backbone interact. energy: -0.024 local terms energy: -24.993963 where: bonds (distance) C4'-P energy: -2.698 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.834 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: 1, replica: 9 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -74.657349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.657349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.657349 (E_RNA) where: Base-Base interactions energy: -35.740 where: short stacking energy: -28.100 Base-Backbone interact. energy: -0.080 local terms energy: -38.837157 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -5.442 tors. eta vs tors. theta energy: -7.428 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: 384 Temperature: 0.950000 Total energy: -67.959881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.959881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.959881 (E_RNA) where: Base-Base interactions energy: -34.359 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.000 local terms energy: -33.600381 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -8.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -55.061567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.061567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.061567 (E_RNA) where: Base-Base interactions energy: -29.267 where: short stacking energy: -17.413 Base-Backbone interact. energy: -0.043 local terms energy: -25.751626 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -5.353 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: 4, replica: 2 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -53.589857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.589857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.589857 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.057 local terms energy: -30.998213 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -3.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -54.550563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.550563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.550563 (E_RNA) where: Base-Base interactions energy: -23.606 where: short stacking energy: -23.606 Base-Backbone interact. energy: 0.565 local terms energy: -31.509907 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.879 flat angles P-C4'-P energy: -4.425 tors. eta vs tors. theta energy: -6.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -50.480402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.480402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.480402 (E_RNA) where: Base-Base interactions energy: -18.469 where: short stacking energy: -18.469 Base-Backbone interact. energy: -0.003 local terms energy: -32.007630 where: bonds (distance) C4'-P energy: -4.873 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -4.839 tors. eta vs tors. theta energy: -6.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -50.308108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.308108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.308108 (E_RNA) where: Base-Base interactions energy: -19.128 where: short stacking energy: -19.128 Base-Backbone interact. energy: -0.057 local terms energy: -31.122947 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -6.847 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.998 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: 8, replica: 4 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -44.472300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.472300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.472300 (E_RNA) where: Base-Base interactions energy: -12.088 where: short stacking energy: -12.088 Base-Backbone interact. energy: -0.001 local terms energy: -32.382598 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -3.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -42.580660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.580660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.580660 (E_RNA) where: Base-Base interactions energy: -16.408 where: short stacking energy: -16.408 Base-Backbone interact. energy: -0.008 local terms energy: -26.164943 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.448 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -2.618 tors. eta vs tors. theta energy: -1.164 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -44.409661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.409661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.409661 (E_RNA) where: Base-Base interactions energy: -14.099 where: short stacking energy: -14.099 Base-Backbone interact. energy: 0.367 local terms energy: -30.677633 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -5.662 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: 1, replica: 9 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -74.197559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.197559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.197559 (E_RNA) where: Base-Base interactions energy: -38.809 where: short stacking energy: -28.763 Base-Backbone interact. energy: -0.001 local terms energy: -35.387687 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -4.733 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -9.857 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: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -64.113957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.113957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.113957 (E_RNA) where: Base-Base interactions energy: -26.631 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.000 local terms energy: -37.483245 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -6.286 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -67.497642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.497642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.497642 (E_RNA) where: Base-Base interactions energy: -33.837 where: short stacking energy: -30.491 Base-Backbone interact. energy: -0.000 local terms energy: -33.659856 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -6.899 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -7.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -53.177260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.177260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.177260 (E_RNA) where: Base-Base interactions energy: -22.376 where: short stacking energy: -21.588 Base-Backbone interact. energy: -0.126 local terms energy: -30.675077 where: bonds (distance) C4'-P energy: -4.570 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -6.086 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: 5, replica: 2 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -55.016530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.016530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.016530 (E_RNA) where: Base-Base interactions energy: -20.710 where: short stacking energy: -20.710 Base-Backbone interact. energy: -0.000 local terms energy: -34.306059 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -5.171 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: 3 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -52.944870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.944870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.944870 (E_RNA) where: Base-Base interactions energy: -22.537 where: short stacking energy: -22.537 Base-Backbone interact. energy: -0.000 local terms energy: -30.408295 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -3.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -45.888348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.888348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.888348 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.093 local terms energy: -29.869767 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -47.558935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.558935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.558935 (E_RNA) where: Base-Base interactions energy: -19.325 where: short stacking energy: -16.124 Base-Backbone interact. energy: -0.062 local terms energy: -28.172251 where: bonds (distance) C4'-P energy: -5.811 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -3.288 tors. eta vs tors. theta energy: -3.225 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: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -53.651389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.651389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.651389 (E_RNA) where: Base-Base interactions energy: -16.029 where: short stacking energy: -11.760 Base-Backbone interact. energy: -0.252 local terms energy: -37.370119 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.695 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -4.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -38.000983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.000983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.000983 (E_RNA) where: Base-Base interactions energy: -17.783 where: short stacking energy: -9.454 Base-Backbone interact. energy: -0.831 local terms energy: -19.387142 where: bonds (distance) C4'-P energy: -3.911 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -2.919 tors. eta vs tors. theta energy: -1.048 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: 9 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -84.421646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.421646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.421646 (E_RNA) where: Base-Base interactions energy: -48.554 where: short stacking energy: -30.261 Base-Backbone interact. energy: -0.006 local terms energy: -35.862312 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -6.973 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: 2, replica: 6 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -69.446090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.446090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.446090 (E_RNA) where: Base-Base interactions energy: -30.318 where: short stacking energy: -30.318 Base-Backbone interact. energy: -0.084 local terms energy: -39.044178 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.311 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -9.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -73.008631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.008631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.008631 (E_RNA) where: Base-Base interactions energy: -37.503 where: short stacking energy: -21.673 Base-Backbone interact. energy: -0.035 local terms energy: -35.470426 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -4.411 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -47.957548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.957548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.957548 (E_RNA) where: Base-Base interactions energy: -19.805 where: short stacking energy: -19.805 Base-Backbone interact. energy: -0.102 local terms energy: -28.050305 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -3.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -55.711068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.711068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.711068 (E_RNA) where: Base-Base interactions energy: -26.500 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.004 local terms energy: -29.206635 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -4.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -59.384892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.384892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.384892 (E_RNA) where: Base-Base interactions energy: -29.807 where: short stacking energy: -28.125 Base-Backbone interact. energy: -0.058 local terms energy: -29.519768 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.018 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -5.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -43.116261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.116261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.116261 (E_RNA) where: Base-Base interactions energy: -14.748 where: short stacking energy: -8.336 Base-Backbone interact. energy: -0.056 local terms energy: -28.312338 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: 1.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -54.054409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.054409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.054409 (E_RNA) where: Base-Base interactions energy: -29.132 where: short stacking energy: -17.504 Base-Backbone interact. energy: -0.000 local terms energy: -24.921728 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -1.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -42.862837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.862837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.862837 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -12.007 Base-Backbone interact. energy: -0.007 local terms energy: -30.914357 where: bonds (distance) C4'-P energy: -4.645 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -5.341 tors. eta vs tors. theta energy: -3.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -40.707664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.707664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.707664 (E_RNA) where: Base-Base interactions energy: -14.521 where: short stacking energy: -14.521 Base-Backbone interact. energy: -0.017 local terms energy: -26.170544 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -6.588 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -1.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -80.521269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.521269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.521269 (E_RNA) where: Base-Base interactions energy: -41.791 where: short stacking energy: -34.713 Base-Backbone interact. energy: -0.000 local terms energy: -38.729706 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.803 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: 1 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -66.062630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.062630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.062630 (E_RNA) where: Base-Base interactions energy: -33.517 where: short stacking energy: -24.789 Base-Backbone interact. energy: -0.000 local terms energy: -32.545112 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.628 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -3.449 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: 3, replica: 6 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -55.301832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.301832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.301832 (E_RNA) where: Base-Base interactions energy: -20.626 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.004 local terms energy: -34.672347 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.517 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -6.492 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: 387 Temperature: 1.050000 Total energy: -56.188900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.188900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.188900 (E_RNA) where: Base-Base interactions energy: -24.216 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.001 local terms energy: -31.972344 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -6.730 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: 5, replica: 8 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -51.051474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.051474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.051474 (E_RNA) where: Base-Base interactions energy: -22.320 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.215 local terms energy: -28.515743 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -0.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -53.503274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.503274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.503274 (E_RNA) where: Base-Base interactions energy: -19.739 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.043 local terms energy: -33.720699 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.904 tors. eta vs tors. theta energy: -5.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -48.715011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.715011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.715011 (E_RNA) where: Base-Base interactions energy: -29.142 where: short stacking energy: -21.140 Base-Backbone interact. energy: 0.623 local terms energy: -20.196215 where: bonds (distance) C4'-P energy: -3.796 bonds (distance) P-C4' energy: -4.392 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -2.445 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: 8, replica: 7 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -45.058599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.058599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.058599 (E_RNA) where: Base-Base interactions energy: -19.424 where: short stacking energy: -19.424 Base-Backbone interact. energy: -0.001 local terms energy: -25.634178 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -3.476 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -39.235000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.235000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.235000 (E_RNA) where: Base-Base interactions energy: -18.808 where: short stacking energy: -11.862 Base-Backbone interact. energy: -0.268 local terms energy: -20.159899 where: bonds (distance) C4'-P energy: -2.376 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -3.872 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -0.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -40.065168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.065168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.065168 (E_RNA) where: Base-Base interactions energy: -10.411 where: short stacking energy: -10.411 Base-Backbone interact. energy: -0.005 local terms energy: -29.650157 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -63.168274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.168274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.168274 (E_RNA) where: Base-Base interactions energy: -28.993 where: short stacking energy: -17.088 Base-Backbone interact. energy: -0.635 local terms energy: -33.540500 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -1.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -76.267940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.267940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.267940 (E_RNA) where: Base-Base interactions energy: -44.186 where: short stacking energy: -32.925 Base-Backbone interact. energy: -0.002 local terms energy: -32.080505 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -3.140 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: 3 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -69.977176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.977176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.977176 (E_RNA) where: Base-Base interactions energy: -38.832 where: short stacking energy: -15.504 Base-Backbone interact. energy: -0.024 local terms energy: -31.120726 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -3.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -52.092071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.092071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.092071 (E_RNA) where: Base-Base interactions energy: -19.884 where: short stacking energy: -19.884 Base-Backbone interact. energy: 0.697 local terms energy: -32.904451 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -51.905985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.905985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.905985 (E_RNA) where: Base-Base interactions energy: -20.155 where: short stacking energy: -20.155 Base-Backbone interact. energy: -0.005 local terms energy: -31.745545 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -4.962 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: 6, replica: 8 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -48.317732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.317732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.317732 (E_RNA) where: Base-Base interactions energy: -22.921 where: short stacking energy: -18.060 Base-Backbone interact. energy: -0.102 local terms energy: -25.294975 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -1.909 tors. eta vs tors. theta energy: -3.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -46.245622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.245622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.245622 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.001 local terms energy: -30.954677 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -6.554 tors. eta vs tors. theta energy: -5.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -49.523946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.523946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.523946 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -19.652 Base-Backbone interact. energy: -1.392 local terms energy: -26.950119 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -7.181 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: 9, replica: 4 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -44.399083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.399083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.399083 (E_RNA) where: Base-Base interactions energy: -17.410 where: short stacking energy: -13.309 Base-Backbone interact. energy: -1.251 local terms energy: -25.738245 where: bonds (distance) C4'-P energy: -8.002 bonds (distance) P-C4' energy: -5.107 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -6.651 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: 5 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -41.090989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.090989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.090989 (E_RNA) where: Base-Base interactions energy: -20.863 where: short stacking energy: -20.863 Base-Backbone interact. energy: -0.000 local terms energy: -20.228290 where: bonds (distance) C4'-P energy: 0.236 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -5.797 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: 1, replica: 1 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -72.461107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.461107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.461107 (E_RNA) where: Base-Base interactions energy: -38.421 where: short stacking energy: -20.154 Base-Backbone interact. energy: -0.098 local terms energy: -33.942173 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -6.394 tors. eta vs tors. theta energy: -5.051 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: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -65.248564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.248564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.248564 (E_RNA) where: Base-Base interactions energy: -32.622 where: short stacking energy: -22.903 Base-Backbone interact. energy: -0.022 local terms energy: -32.604684 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -4.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -72.905666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.905666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.905666 (E_RNA) where: Base-Base interactions energy: -40.859 where: short stacking energy: -29.003 Base-Backbone interact. energy: -0.130 local terms energy: -31.916949 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -4.765 flat angles P-C4'-P energy: -4.583 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: 4, replica: 10 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -54.918203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.918203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.918203 (E_RNA) where: Base-Base interactions energy: -23.935 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.540 local terms energy: -30.443224 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -46.359213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.359213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.359213 (E_RNA) where: Base-Base interactions energy: -19.107 where: short stacking energy: -19.107 Base-Backbone interact. energy: -0.034 local terms energy: -27.218326 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -1.674 tors. eta vs tors. theta energy: -3.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -54.472202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.472202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.472202 (E_RNA) where: Base-Base interactions energy: -24.243 where: short stacking energy: -24.243 Base-Backbone interact. energy: 0.136 local terms energy: -30.364588 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -1.864 tors. eta vs tors. theta energy: -6.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -47.238802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.238802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.238802 (E_RNA) where: Base-Base interactions energy: -18.203 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.001 local terms energy: -29.035167 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -5.033 tors. eta vs tors. theta energy: -4.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -48.150100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.150100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.150100 (E_RNA) where: Base-Base interactions energy: -18.909 where: short stacking energy: -18.909 Base-Backbone interact. energy: -0.014 local terms energy: -29.227169 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.055 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -3.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -48.864108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.864108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.864108 (E_RNA) where: Base-Base interactions energy: -24.581 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.002 local terms energy: -24.281578 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -3.007 tors. eta vs tors. theta energy: -0.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -40.952551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.952551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.952551 (E_RNA) where: Base-Base interactions energy: -17.991 where: short stacking energy: -17.444 Base-Backbone interact. energy: -0.157 local terms energy: -22.804493 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -3.115 flat angles P-C4'-P energy: -2.308 tors. eta vs tors. theta energy: -1.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -70.106747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.106747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.106747 (E_RNA) where: Base-Base interactions energy: -31.307 where: short stacking energy: -31.307 Base-Backbone interact. energy: -0.000 local terms energy: -38.799467 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -6.509 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: 2, replica: 1 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -62.717724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.717724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.717724 (E_RNA) where: Base-Base interactions energy: -29.132 where: short stacking energy: -27.549 Base-Backbone interact. energy: -0.002 local terms energy: -33.583082 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -9.250 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: 390 Temperature: 1.000000 Total energy: -56.490609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.490609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.490609 (E_RNA) where: Base-Base interactions energy: -22.952 where: short stacking energy: -22.952 Base-Backbone interact. energy: -0.011 local terms energy: -33.527562 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -67.778157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.778157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.778157 (E_RNA) where: Base-Base interactions energy: -41.651 where: short stacking energy: -23.724 Base-Backbone interact. energy: -0.042 local terms energy: -26.085220 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -4.983 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -2.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -52.777369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.777369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.777369 (E_RNA) where: Base-Base interactions energy: -20.457 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.047 local terms energy: -32.273840 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -5.231 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: 6, replica: 6 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -49.553789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.553789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.553789 (E_RNA) where: Base-Base interactions energy: -17.483 where: short stacking energy: -16.847 Base-Backbone interact. energy: -0.076 local terms energy: -31.994358 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -2.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -57.782003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.782003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.782003 (E_RNA) where: Base-Base interactions energy: -28.712 where: short stacking energy: -23.085 Base-Backbone interact. energy: -0.001 local terms energy: -29.069033 where: bonds (distance) C4'-P energy: -6.121 bonds (distance) P-C4' energy: -6.385 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -47.116783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.116783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.116783 (E_RNA) where: Base-Base interactions energy: -16.106 where: short stacking energy: -14.673 Base-Backbone interact. energy: -0.046 local terms energy: -30.964868 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -6.099 tors. eta vs tors. theta energy: -2.892 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: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -38.692646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.692646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.692646 (E_RNA) where: Base-Base interactions energy: -11.868 where: short stacking energy: -11.868 Base-Backbone interact. energy: -0.108 local terms energy: -26.716065 where: bonds (distance) C4'-P energy: -8.760 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -1.440 flat angles P-C4'-P energy: -3.897 tors. eta vs tors. theta energy: -3.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -43.979701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.979701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.979701 (E_RNA) where: Base-Base interactions energy: -18.425 where: short stacking energy: -18.425 Base-Backbone interact. energy: -0.028 local terms energy: -25.526350 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -5.484 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -63.181894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.181894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.181894 (E_RNA) where: Base-Base interactions energy: -27.756 where: short stacking energy: -26.491 Base-Backbone interact. energy: -0.684 local terms energy: -34.741245 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -5.135 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: 2, replica: 10 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -76.869707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.869707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.869707 (E_RNA) where: Base-Base interactions energy: -42.709 where: short stacking energy: -30.636 Base-Backbone interact. energy: -0.001 local terms energy: -34.159848 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.695 flat angles P-C4'-P energy: -2.804 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: 3, replica: 1 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -61.343042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.343042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.343042 (E_RNA) where: Base-Base interactions energy: -25.505 where: short stacking energy: -25.505 Base-Backbone interact. energy: -0.098 local terms energy: -35.740185 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -5.426 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: 4, replica: 8 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -54.475562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.475562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.475562 (E_RNA) where: Base-Base interactions energy: -26.178 where: short stacking energy: -26.178 Base-Backbone interact. energy: -0.051 local terms energy: -28.247213 where: bonds (distance) C4'-P energy: -3.617 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -3.225 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: 3 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -50.769535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.769535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.769535 (E_RNA) where: Base-Base interactions energy: -20.396 where: short stacking energy: -20.396 Base-Backbone interact. energy: -0.023 local terms energy: -30.350970 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -4.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -54.134791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.134791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.134791 (E_RNA) where: Base-Base interactions energy: -22.255 where: short stacking energy: -22.255 Base-Backbone interact. energy: -0.101 local terms energy: -31.778933 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.774 flat angles P-C4'-P energy: -6.004 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: 7, replica: 6 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -46.888081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.888081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.888081 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.000 local terms energy: -31.132719 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -6.196 tors. eta vs tors. theta energy: -3.623 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -50.054173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.054173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.054173 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -20.317 Base-Backbone interact. energy: 1.396 local terms energy: -31.132704 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -6.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -46.148712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.148712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.148712 (E_RNA) where: Base-Base interactions energy: -26.489 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.023 local terms energy: -19.636890 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: 0.186 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -37.891237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.891237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.891237 (E_RNA) where: Base-Base interactions energy: -9.334 where: short stacking energy: -9.256 Base-Backbone interact. energy: -0.122 local terms energy: -28.435930 where: bonds (distance) C4'-P energy: -6.118 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -0.192 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: 10 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -70.390118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.390118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.390118 (E_RNA) where: Base-Base interactions energy: -40.848 where: short stacking energy: -17.634 Base-Backbone interact. energy: 0.486 local terms energy: -30.028110 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -5.085 flat angles C4'-P-C4' energy: -6.929 flat angles P-C4'-P energy: -7.790 tors. eta vs tors. theta energy: -2.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -57.531556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.531556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.531556 (E_RNA) where: Base-Base interactions energy: -22.485 where: short stacking energy: -22.485 Base-Backbone interact. energy: -0.011 local terms energy: -35.035601 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -5.632 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -67.146844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.146844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.146844 (E_RNA) where: Base-Base interactions energy: -29.971 where: short stacking energy: -29.971 Base-Backbone interact. energy: -0.000 local terms energy: -37.175895 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -10.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -60.837336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.837336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.837336 (E_RNA) where: Base-Base interactions energy: -32.299 where: short stacking energy: -21.338 Base-Backbone interact. energy: 0.318 local terms energy: -28.856276 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -58.801447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.801447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.801447 (E_RNA) where: Base-Base interactions energy: -22.906 where: short stacking energy: -22.906 Base-Backbone interact. energy: -0.000 local terms energy: -35.895220 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -9.253 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -4.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -49.751090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.751090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.751090 (E_RNA) where: Base-Base interactions energy: -24.293 where: short stacking energy: -16.094 Base-Backbone interact. energy: -0.026 local terms energy: -25.431949 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -2.607 tors. eta vs tors. theta energy: -3.274 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: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -51.259239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.259239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.259239 (E_RNA) where: Base-Base interactions energy: -20.065 where: short stacking energy: -20.065 Base-Backbone interact. energy: -0.000 local terms energy: -31.194005 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -5.268 flat angles P-C4'-P energy: -0.802 tors. eta vs tors. theta energy: -9.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -42.282024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.282024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.282024 (E_RNA) where: Base-Base interactions energy: -18.690 where: short stacking energy: -12.663 Base-Backbone interact. energy: -0.111 local terms energy: -23.481573 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -6.862 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -1.648 tors. eta vs tors. theta energy: -3.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -47.541125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.541125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.541125 (E_RNA) where: Base-Base interactions energy: -21.586 where: short stacking energy: -17.694 Base-Backbone interact. energy: -0.610 local terms energy: -25.344746 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -3.705 flat angles P-C4'-P energy: -5.861 tors. eta vs tors. theta energy: 0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -41.637114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.637114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.637114 (E_RNA) where: Base-Base interactions energy: -18.104 where: short stacking energy: -16.958 Base-Backbone interact. energy: -0.013 local terms energy: -23.520126 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.922 flat angles P-C4'-P energy: -6.399 tors. eta vs tors. theta energy: -0.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -83.245827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.245827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.245827 (E_RNA) where: Base-Base interactions energy: -49.406 where: short stacking energy: -21.326 Base-Backbone interact. energy: -0.553 local terms energy: -33.286642 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.341 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -65.293778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.293778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.293778 (E_RNA) where: Base-Base interactions energy: -29.148 where: short stacking energy: -29.148 Base-Backbone interact. energy: -0.000 local terms energy: -36.145045 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -5.793 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -75.938314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.938314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.938314 (E_RNA) where: Base-Base interactions energy: -40.725 where: short stacking energy: -22.809 Base-Backbone interact. energy: -0.022 local terms energy: -35.191329 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -4.447 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: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -56.919104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.919104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.919104 (E_RNA) where: Base-Base interactions energy: -24.793 where: short stacking energy: -24.646 Base-Backbone interact. energy: -0.034 local terms energy: -32.092194 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.315 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -3.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -53.537475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.537475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.537475 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.000 local terms energy: -31.874127 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.512 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -5.227 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: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -55.565562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.565562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.565562 (E_RNA) where: Base-Base interactions energy: -21.578 where: short stacking energy: -21.350 Base-Backbone interact. energy: -0.038 local terms energy: -33.949319 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -6.852 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -5.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -48.285109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.285109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.285109 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.087 local terms energy: -29.550032 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -5.058 tors. eta vs tors. theta energy: -1.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -57.428517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.428517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.428517 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -20.530 Base-Backbone interact. energy: -0.076 local terms energy: -34.050889 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -5.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 393 Temperature: 1.300000 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: -19.026 where: short stacking energy: -16.011 Base-Backbone interact. energy: 1.536 local terms energy: -28.864206 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -50.197681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.197681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.197681 (E_RNA) where: Base-Base interactions energy: -22.099 where: short stacking energy: -16.420 Base-Backbone interact. energy: -0.001 local terms energy: -28.097790 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -3.510 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -59.403822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.403822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.403822 (E_RNA) where: Base-Base interactions energy: -23.859 where: short stacking energy: -19.162 Base-Backbone interact. energy: -0.076 local terms energy: -35.469614 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.272 flat angles P-C4'-P energy: -5.304 tors. eta vs tors. theta energy: -3.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -78.712726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.712726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.712726 (E_RNA) where: Base-Base interactions energy: -45.780 where: short stacking energy: -24.731 Base-Backbone interact. energy: -0.002 local terms energy: -32.930344 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.630 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -75.695774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.695774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.695774 (E_RNA) where: Base-Base interactions energy: -38.667 where: short stacking energy: -18.810 Base-Backbone interact. energy: 0.469 local terms energy: -37.497788 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -5.014 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: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -56.456878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.456878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.456878 (E_RNA) where: Base-Base interactions energy: -21.455 where: short stacking energy: -21.455 Base-Backbone interact. energy: -0.041 local terms energy: -34.960984 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.931 flat angles P-C4'-P energy: -6.284 tors. eta vs tors. theta energy: -4.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -54.731330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.731330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.731330 (E_RNA) where: Base-Base interactions energy: -25.789 where: short stacking energy: -15.227 Base-Backbone interact. energy: -0.083 local terms energy: -28.859147 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -2.791 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -56.822431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.822431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.822431 (E_RNA) where: Base-Base interactions energy: -23.498 where: short stacking energy: -23.425 Base-Backbone interact. energy: -0.017 local terms energy: -33.306940 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.401 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -6.829 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: 7, replica: 2 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -50.242552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.242552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.242552 (E_RNA) where: Base-Base interactions energy: -21.743 where: short stacking energy: -10.922 Base-Backbone interact. energy: -0.025 local terms energy: -28.475099 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -7.280 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.277 tors. eta vs tors. theta energy: -2.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -47.264952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.264952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.264952 (E_RNA) where: Base-Base interactions energy: -17.432 where: short stacking energy: -17.432 Base-Backbone interact. energy: -0.001 local terms energy: -29.832196 where: bonds (distance) C4'-P energy: -4.330 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -3.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -42.264981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.264981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.264981 (E_RNA) where: Base-Base interactions energy: -15.410 where: short stacking energy: -15.410 Base-Backbone interact. energy: -0.032 local terms energy: -26.823051 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -3.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -43.415161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.415161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.415161 (E_RNA) where: Base-Base interactions energy: -18.518 where: short stacking energy: -16.584 Base-Backbone interact. energy: -0.036 local terms energy: -24.861031 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -2.630 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -62.966626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.966626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.966626 (E_RNA) where: Base-Base interactions energy: -28.117 where: short stacking energy: -28.117 Base-Backbone interact. energy: -0.000 local terms energy: -34.849277 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -5.383 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: 9 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -70.632460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.632460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.632460 (E_RNA) where: Base-Base interactions energy: -40.004 where: short stacking energy: -19.570 Base-Backbone interact. energy: -0.089 local terms energy: -30.539181 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -6.192 tors. eta vs tors. theta energy: -1.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -73.683575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.683575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.683575 (E_RNA) where: Base-Base interactions energy: -40.257 where: short stacking energy: -27.263 Base-Backbone interact. energy: -0.001 local terms energy: -33.425627 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -7.430 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: 4, replica: 5 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -48.443024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.443024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.443024 (E_RNA) where: Base-Base interactions energy: -19.554 where: short stacking energy: -18.737 Base-Backbone interact. energy: -0.067 local terms energy: -28.821889 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.443 flat angles P-C4'-P energy: -3.449 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -50.087805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.087805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.087805 (E_RNA) where: Base-Base interactions energy: -22.333 where: short stacking energy: -22.333 Base-Backbone interact. energy: -0.038 local terms energy: -27.716856 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -0.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -51.366336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.366336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.366336 (E_RNA) where: Base-Base interactions energy: -25.104 where: short stacking energy: -15.628 Base-Backbone interact. energy: -0.039 local terms energy: -26.223459 where: bonds (distance) C4'-P energy: -5.878 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -3.558 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -3.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -46.535687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.535687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.535687 (E_RNA) where: Base-Base interactions energy: -17.523 where: short stacking energy: -17.523 Base-Backbone interact. energy: -0.015 local terms energy: -28.997144 where: bonds (distance) C4'-P energy: -5.408 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -5.080 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: 7 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -39.089454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.089454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.089454 (E_RNA) where: Base-Base interactions energy: -7.948 where: short stacking energy: -7.948 Base-Backbone interact. energy: -0.033 local terms energy: -31.107865 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -5.054 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: 9, replica: 4 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -46.602843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.602843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.602843 (E_RNA) where: Base-Base interactions energy: -21.105 where: short stacking energy: -13.707 Base-Backbone interact. energy: -0.122 local terms energy: -25.375678 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -3.852 flat angles C4'-P-C4' energy: -7.531 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -1.246 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: 6 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -43.666971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.666971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.666971 (E_RNA) where: Base-Base interactions energy: -14.626 where: short stacking energy: -14.626 Base-Backbone interact. energy: -0.089 local terms energy: -28.951879 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -5.390 tors. eta vs tors. theta energy: -1.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -66.554365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.554365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.554365 (E_RNA) where: Base-Base interactions energy: -31.189 where: short stacking energy: -27.733 Base-Backbone interact. energy: 0.615 local terms energy: -35.980557 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -66.504170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.504170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.504170 (E_RNA) where: Base-Base interactions energy: -28.696 where: short stacking energy: -24.903 Base-Backbone interact. energy: -0.000 local terms energy: -37.807928 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -9.123 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -8.136 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: 3, replica: 5 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -61.398790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.398790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.398790 (E_RNA) where: Base-Base interactions energy: -29.325 where: short stacking energy: -29.325 Base-Backbone interact. energy: -0.004 local terms energy: -32.070437 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -4.176 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: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -59.384260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.384260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.384260 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -22.281 Base-Backbone interact. energy: -0.000 local terms energy: -37.103180 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -5.171 tors. eta vs tors. theta energy: -7.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -50.322437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.322437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.322437 (E_RNA) where: Base-Base interactions energy: -18.187 where: short stacking energy: -18.110 Base-Backbone interact. energy: -0.283 local terms energy: -31.852743 where: bonds (distance) C4'-P energy: -6.962 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -1.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -51.305254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.305254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.305254 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.421 Base-Backbone interact. energy: -0.002 local terms energy: -31.842540 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.380 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: 7, replica: 7 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -50.581200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.581200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.581200 (E_RNA) where: Base-Base interactions energy: -19.305 where: short stacking energy: -19.305 Base-Backbone interact. energy: -0.032 local terms energy: -31.244371 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -6.857 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -2.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -46.867575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.867575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.867575 (E_RNA) where: Base-Base interactions energy: -16.985 where: short stacking energy: -16.985 Base-Backbone interact. energy: -0.000 local terms energy: -29.882293 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -2.874 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: 6 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -45.546839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.546839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.546839 (E_RNA) where: Base-Base interactions energy: -14.945 where: short stacking energy: -14.945 Base-Backbone interact. energy: -0.005 local terms energy: -30.596874 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.969 flat angles P-C4'-P energy: -2.628 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: 10, replica: 4 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -42.982320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.982320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.982320 (E_RNA) where: Base-Base interactions energy: -18.864 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.041 local terms energy: -24.077991 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -4.279 tors. eta vs tors. theta energy: -0.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -67.874277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.874277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.874277 (E_RNA) where: Base-Base interactions energy: -29.882 where: short stacking energy: -29.882 Base-Backbone interact. energy: -0.000 local terms energy: -37.992550 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -5.821 tors. eta vs tors. theta energy: -9.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -55.129776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.129776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.129776 (E_RNA) where: Base-Base interactions energy: -23.816 where: short stacking energy: -23.718 Base-Backbone interact. energy: -0.014 local terms energy: -31.299873 where: bonds (distance) C4'-P energy: -4.144 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -3.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -64.177734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.177734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.177734 (E_RNA) where: Base-Base interactions energy: -29.679 where: short stacking energy: -25.876 Base-Backbone interact. energy: -0.001 local terms energy: -34.498256 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -8.298 flat angles P-C4'-P energy: -6.076 tors. eta vs tors. theta energy: -6.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -57.962248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.962248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.962248 (E_RNA) where: Base-Base interactions energy: -27.050 where: short stacking energy: -27.050 Base-Backbone interact. energy: -0.018 local terms energy: -30.894072 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -60.332774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.332774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.332774 (E_RNA) where: Base-Base interactions energy: -28.585 where: short stacking energy: -14.801 Base-Backbone interact. energy: -0.371 local terms energy: -31.376755 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -9.579 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -0.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -56.919544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.919544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.919544 (E_RNA) where: Base-Base interactions energy: -28.877 where: short stacking energy: -13.859 Base-Backbone interact. energy: 0.280 local terms energy: -28.322528 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.614 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: 1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -45.225649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.225649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.225649 (E_RNA) where: Base-Base interactions energy: -19.121 where: short stacking energy: -19.121 Base-Backbone interact. energy: -0.005 local terms energy: -26.099734 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -3.503 tors. eta vs tors. theta energy: -3.007 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: 6 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -53.983764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.983764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.983764 (E_RNA) where: Base-Base interactions energy: -19.803 where: short stacking energy: -19.284 Base-Backbone interact. energy: -0.024 local terms energy: -34.156157 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -2.781 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: 9, replica: 1 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -41.273516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.273516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.273516 (E_RNA) where: Base-Base interactions energy: -12.318 where: short stacking energy: -12.318 Base-Backbone interact. energy: -0.060 local terms energy: -28.895142 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -2.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -41.176922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.176922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.176922 (E_RNA) where: Base-Base interactions energy: -12.896 where: short stacking energy: -12.709 Base-Backbone interact. energy: -0.095 local terms energy: -28.185533 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -3.322 tors. eta vs tors. theta energy: -2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -61.340113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.340113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.340113 (E_RNA) where: Base-Base interactions energy: -26.071 where: short stacking energy: -26.071 Base-Backbone interact. energy: -0.004 local terms energy: -35.264791 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -4.176 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: 398 Temperature: 0.950000 Total energy: -64.655403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.655403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.655403 (E_RNA) where: Base-Base interactions energy: -30.175 where: short stacking energy: -30.175 Base-Backbone interact. energy: -0.000 local terms energy: -34.479962 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -6.704 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -7.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -55.512753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.512753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.512753 (E_RNA) where: Base-Base interactions energy: -20.288 where: short stacking energy: -20.288 Base-Backbone interact. energy: -0.064 local terms energy: -35.160983 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.857 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -6.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -57.233896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.233896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.233896 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -24.375 Base-Backbone interact. energy: -0.207 local terms energy: -30.768599 where: bonds (distance) C4'-P energy: -5.398 bonds (distance) P-C4' energy: -7.416 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.631 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: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -57.006965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.006965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.006965 (E_RNA) where: Base-Base interactions energy: -26.977 where: short stacking energy: -17.664 Base-Backbone interact. energy: -0.098 local terms energy: -29.931568 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.457 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -58.208991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.208991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.208991 (E_RNA) where: Base-Base interactions energy: -23.216 where: short stacking energy: -23.216 Base-Backbone interact. energy: -1.099 local terms energy: -33.894032 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -3.439 tors. eta vs tors. theta energy: -7.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -54.001654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.001654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.001654 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.096 local terms energy: -29.347965 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -4.118 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -51.519188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.519188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.519188 (E_RNA) where: Base-Base interactions energy: -18.621 where: short stacking energy: -15.479 Base-Backbone interact. energy: -0.008 local terms energy: -32.890719 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.799 flat angles P-C4'-P energy: -6.711 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: 9, replica: 4 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -44.396190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.396190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.396190 (E_RNA) where: Base-Base interactions energy: -10.989 where: short stacking energy: -10.989 Base-Backbone interact. energy: -0.055 local terms energy: -33.352410 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -6.674 tors. eta vs tors. theta energy: -4.376 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: 10, replica: 1 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -41.877348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.877348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.877348 (E_RNA) where: Base-Base interactions energy: -11.321 where: short stacking energy: -6.321 Base-Backbone interact. energy: -0.108 local terms energy: -30.448289 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.144 flat angles P-C4'-P energy: -5.343 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: 1, replica: 5 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -61.474780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.474780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.474780 (E_RNA) where: Base-Base interactions energy: -30.805 where: short stacking energy: -30.805 Base-Backbone interact. energy: -0.002 local terms energy: -30.667717 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.280 flat angles C4'-P-C4' energy: -4.915 flat angles P-C4'-P energy: -5.828 tors. eta vs tors. theta energy: -6.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -64.436802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.436802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.436802 (E_RNA) where: Base-Base interactions energy: -29.530 where: short stacking energy: -29.530 Base-Backbone interact. energy: -0.000 local terms energy: -34.907156 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -8.636 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: 3, replica: 9 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -59.971865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.971865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.971865 (E_RNA) where: Base-Base interactions energy: -28.220 where: short stacking energy: -19.010 Base-Backbone interact. energy: -0.089 local terms energy: -31.663322 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -2.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -55.474647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.474647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.474647 (E_RNA) where: Base-Base interactions energy: -20.438 where: short stacking energy: -20.438 Base-Backbone interact. energy: -0.000 local terms energy: -35.036914 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -4.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -65.688132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.688132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.688132 (E_RNA) where: Base-Base interactions energy: -34.741 where: short stacking energy: -25.547 Base-Backbone interact. energy: -0.010 local terms energy: -30.937966 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -5.302 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -5.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -50.336584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.336584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.336584 (E_RNA) where: Base-Base interactions energy: -20.891 where: short stacking energy: -17.652 Base-Backbone interact. energy: -0.083 local terms energy: -29.362117 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -6.168 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: 7, replica: 6 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -46.469836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.469836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.469836 (E_RNA) where: Base-Base interactions energy: -19.209 where: short stacking energy: -11.340 Base-Backbone interact. energy: -0.095 local terms energy: -27.165287 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -4.495 tors. eta vs tors. theta energy: -1.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -44.193961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.193961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.193961 (E_RNA) where: Base-Base interactions energy: -17.449 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.166 local terms energy: -26.578394 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -3.853 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -2.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -41.161990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.161990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.161990 (E_RNA) where: Base-Base interactions energy: -13.213 where: short stacking energy: -6.494 Base-Backbone interact. energy: -0.011 local terms energy: -27.938357 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -2.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -38.999938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.999938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.999938 (E_RNA) where: Base-Base interactions energy: -12.099 where: short stacking energy: -12.099 Base-Backbone interact. energy: 0.141 local terms energy: -27.041799 where: bonds (distance) C4'-P energy: -3.522 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -3.960 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: 1, replica: 2 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -76.314508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.314508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.314508 (E_RNA) where: Base-Base interactions energy: -34.402 where: short stacking energy: -33.542 Base-Backbone interact. energy: -0.000 local terms energy: -41.912110 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -10.822 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: 5 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -64.355865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.355865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.355865 (E_RNA) where: Base-Base interactions energy: -29.065 where: short stacking energy: -28.929 Base-Backbone interact. energy: -0.001 local terms energy: -35.290341 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.031 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -60.134570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.134570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.134570 (E_RNA) where: Base-Base interactions energy: -25.186 where: short stacking energy: -25.186 Base-Backbone interact. energy: -0.029 local terms energy: -34.919329 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -5.967 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: 4, replica: 9 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -71.408757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.408757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.408757 (E_RNA) where: Base-Base interactions energy: -39.911 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.000 local terms energy: -31.497928 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -3.790 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: 5, replica: 10 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -52.748923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.748923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.748923 (E_RNA) where: Base-Base interactions energy: -26.490 where: short stacking energy: -19.047 Base-Backbone interact. energy: -0.165 local terms energy: -26.093726 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -3.008 tors. eta vs tors. theta energy: -3.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -46.862998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.862998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.862998 (E_RNA) where: Base-Base interactions energy: -15.436 where: short stacking energy: -15.436 Base-Backbone interact. energy: -0.002 local terms energy: -31.424885 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.690 tors. eta vs tors. theta energy: -2.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -57.781904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.781904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.781904 (E_RNA) where: Base-Base interactions energy: -26.978 where: short stacking energy: -26.978 Base-Backbone interact. energy: -0.000 local terms energy: -30.803859 where: bonds (distance) C4'-P energy: -4.293 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.130 flat angles P-C4'-P energy: -5.272 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: 8, replica: 6 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -51.979931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.979931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.979931 (E_RNA) where: Base-Base interactions energy: -16.965 where: short stacking energy: -16.965 Base-Backbone interact. energy: 0.039 local terms energy: -35.053134 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -5.081 tors. eta vs tors. theta energy: -5.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -40.698289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.698289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.698289 (E_RNA) where: Base-Base interactions energy: -15.960 where: short stacking energy: -15.851 Base-Backbone interact. energy: -0.074 local terms energy: -24.663979 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -6.520 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -39.443406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.443406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.443406 (E_RNA) where: Base-Base interactions energy: -14.711 where: short stacking energy: -12.178 Base-Backbone interact. energy: -1.281 local terms energy: -23.450842 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -5.062 flat angles C4'-P-C4' energy: -7.668 flat angles P-C4'-P energy: -2.334 tors. eta vs tors. theta energy: 0.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -70.039199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.039199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.039199 (E_RNA) where: Base-Base interactions energy: -31.838 where: short stacking energy: -31.838 Base-Backbone interact. energy: -0.000 local terms energy: -38.201563 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -5.699 tors. eta vs tors. theta energy: -10.578 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: 7 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -60.219452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.219452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.219452 (E_RNA) where: Base-Base interactions energy: -25.915 where: short stacking energy: -25.915 Base-Backbone interact. energy: -0.006 local terms energy: -34.298693 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -5.758 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: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -51.406683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.406683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.406683 (E_RNA) where: Base-Base interactions energy: -16.469 where: short stacking energy: -16.469 Base-Backbone interact. energy: -0.044 local terms energy: -34.893600 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -6.216 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: 4, replica: 10 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -53.439389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.439389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.439389 (E_RNA) where: Base-Base interactions energy: -26.806 where: short stacking energy: -21.238 Base-Backbone interact. energy: -0.073 local terms energy: -26.559728 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -0.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -49.058697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.058697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.058697 (E_RNA) where: Base-Base interactions energy: -21.820 where: short stacking energy: -19.759 Base-Backbone interact. energy: -1.725 local terms energy: -25.513930 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -5.677 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -3.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -49.968186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.968186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.968186 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -21.840 Base-Backbone interact. energy: -0.073 local terms energy: -28.055378 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -0.326 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: 7, replica: 8 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -60.580906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.580906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.580906 (E_RNA) where: Base-Base interactions energy: -26.762 where: short stacking energy: -26.762 Base-Backbone interact. energy: -0.000 local terms energy: -33.818438 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.491 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -8.581 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: 1 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -43.847241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.847241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.847241 (E_RNA) where: Base-Base interactions energy: -17.859 where: short stacking energy: -16.803 Base-Backbone interact. energy: -0.219 local terms energy: -25.768569 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -2.892 tors. eta vs tors. theta energy: -3.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -40.974590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974590 (E_RNA) where: Base-Base interactions energy: -11.306 where: short stacking energy: -6.726 Base-Backbone interact. energy: -0.357 local terms energy: -29.311167 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: 0.384 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: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -38.342031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.342031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.342031 (E_RNA) where: Base-Base interactions energy: -12.749 where: short stacking energy: -12.749 Base-Backbone interact. energy: -0.002 local terms energy: -25.590357 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -2.763 flat angles P-C4'-P energy: -4.113 tors. eta vs tors. theta energy: -1.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -67.629829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.629829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.629829 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -27.053 Base-Backbone interact. energy: -0.002 local terms energy: -35.028058 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -7.326 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: 2, replica: 7 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -65.902577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.902577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.902577 (E_RNA) where: Base-Base interactions energy: -27.645 where: short stacking energy: -27.645 Base-Backbone interact. energy: -0.000 local terms energy: -38.257391 where: bonds (distance) C4'-P energy: -6.372 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -9.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -56.214402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.214402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.214402 (E_RNA) where: Base-Base interactions energy: -21.505 where: short stacking energy: -21.505 Base-Backbone interact. energy: -0.003 local terms energy: -34.706740 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -4.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -52.436669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.436669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.436669 (E_RNA) where: Base-Base interactions energy: -22.454 where: short stacking energy: -22.454 Base-Backbone interact. energy: -0.000 local terms energy: -29.982919 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.170 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -3.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -58.066972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.066972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.066972 (E_RNA) where: Base-Base interactions energy: -27.690 where: short stacking energy: -15.444 Base-Backbone interact. energy: -0.694 local terms energy: -29.682857 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -1.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -45.935976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.935976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.935976 (E_RNA) where: Base-Base interactions energy: -18.951 where: short stacking energy: -18.155 Base-Backbone interact. energy: -0.041 local terms energy: -26.943381 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -3.952 flat angles P-C4'-P energy: -3.073 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: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -51.286440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.286440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.286440 (E_RNA) where: Base-Base interactions energy: -19.946 where: short stacking energy: -19.946 Base-Backbone interact. energy: -0.002 local terms energy: -31.338196 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -6.368 flat angles P-C4'-P energy: -6.047 tors. eta vs tors. theta energy: -2.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -48.318164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.318164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.318164 (E_RNA) where: Base-Base interactions energy: -17.162 where: short stacking energy: -17.162 Base-Backbone interact. energy: -0.112 local terms energy: -31.044169 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -3.960 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: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -48.259552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.259552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.259552 (E_RNA) where: Base-Base interactions energy: -16.274 where: short stacking energy: -16.274 Base-Backbone interact. energy: -0.002 local terms energy: -31.983449 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -4.637 tors. eta vs tors. theta energy: -4.994 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: 10, replica: 6 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -51.494747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.494747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.494747 (E_RNA) where: Base-Base interactions energy: -17.022 where: short stacking energy: -17.022 Base-Backbone interact. energy: -0.008 local terms energy: -34.465011 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -3.521 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: 2 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -73.304813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.304813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.304813 (E_RNA) where: Base-Base interactions energy: -43.010 where: short stacking energy: -28.435 Base-Backbone interact. energy: -0.146 local terms energy: -30.147999 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -4.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -74.254111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.254111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.254111 (E_RNA) where: Base-Base interactions energy: -41.370 where: short stacking energy: -26.059 Base-Backbone interact. energy: -0.000 local terms energy: -32.883739 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.864 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -3.933 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -69.585897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.585897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.585897 (E_RNA) where: Base-Base interactions energy: -31.286 where: short stacking energy: -31.286 Base-Backbone interact. energy: -0.000 local terms energy: -38.300066 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -4.067 tors. eta vs tors. theta energy: -9.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -56.538371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.538371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.538371 (E_RNA) where: Base-Base interactions energy: -24.867 where: short stacking energy: -22.650 Base-Backbone interact. energy: -0.001 local terms energy: -31.670156 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -3.585 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -53.044455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.044455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.044455 (E_RNA) where: Base-Base interactions energy: -20.866 where: short stacking energy: -20.650 Base-Backbone interact. energy: -0.007 local terms energy: -32.171253 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -3.447 flat angles P-C4'-P energy: -6.838 tors. eta vs tors. theta energy: -4.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -50.562285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.562285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.562285 (E_RNA) where: Base-Base interactions energy: -21.364 where: short stacking energy: -21.364 Base-Backbone interact. energy: -0.035 local terms energy: -29.163685 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -7.068 flat angles C4'-P-C4' energy: -4.982 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -49.041708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.041708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.041708 (E_RNA) where: Base-Base interactions energy: -16.507 where: short stacking energy: -16.507 Base-Backbone interact. energy: -0.001 local terms energy: -32.534381 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.716 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -46.332781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.332781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.332781 (E_RNA) where: Base-Base interactions energy: -21.335 where: short stacking energy: -20.122 Base-Backbone interact. energy: -0.005 local terms energy: -24.993128 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.218 flat angles P-C4'-P energy: -0.858 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: 9, replica: 1 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -35.595893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.595893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.595893 (E_RNA) where: Base-Base interactions energy: -13.403 where: short stacking energy: -8.433 Base-Backbone interact. energy: -0.965 local terms energy: -21.227736 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -1.150 tors. eta vs tors. theta energy: -2.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -53.651190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.651190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.651190 (E_RNA) where: Base-Base interactions energy: -26.946 where: short stacking energy: -18.691 Base-Backbone interact. energy: -0.450 local terms energy: -26.255083 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -7.560 flat angles C4'-P-C4' energy: -3.990 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -4.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -63.909357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.909357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.909357 (E_RNA) where: Base-Base interactions energy: -31.617 where: short stacking energy: -27.881 Base-Backbone interact. energy: -0.002 local terms energy: -32.290733 where: bonds (distance) C4'-P energy: -5.252 bonds (distance) P-C4' energy: -8.106 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -7.303 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: 2 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -67.739782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.739782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.739782 (E_RNA) where: Base-Base interactions energy: -30.231 where: short stacking energy: -30.231 Base-Backbone interact. energy: -0.000 local terms energy: -37.508486 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -9.082 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: 3, replica: 7 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -61.792930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.792930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.792930 (E_RNA) where: Base-Base interactions energy: -30.773 where: short stacking energy: -24.269 Base-Backbone interact. energy: -0.011 local terms energy: -31.008593 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.403 flat angles P-C4'-P energy: -2.611 tors. eta vs tors. theta energy: -4.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -55.337798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.337798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.337798 (E_RNA) where: Base-Base interactions energy: -21.831 where: short stacking energy: -21.831 Base-Backbone interact. energy: -0.001 local terms energy: -33.506502 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -5.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -51.503096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.503096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.503096 (E_RNA) where: Base-Base interactions energy: -19.207 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.036 local terms energy: -32.260026 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.436 flat angles P-C4'-P energy: -4.236 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: 6, replica: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -55.390606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.390606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.390606 (E_RNA) where: Base-Base interactions energy: -22.205 where: short stacking energy: -22.205 Base-Backbone interact. energy: -0.001 local terms energy: -33.185378 where: bonds (distance) C4'-P energy: -5.850 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -4.684 tors. eta vs tors. theta energy: -6.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -43.441176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.441176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.441176 (E_RNA) where: Base-Base interactions energy: -16.616 where: short stacking energy: -8.696 Base-Backbone interact. energy: -0.086 local terms energy: -26.739143 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: 1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -42.150755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.150755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.150755 (E_RNA) where: Base-Base interactions energy: -11.266 where: short stacking energy: -11.266 Base-Backbone interact. energy: -0.002 local terms energy: -30.883254 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -8.807 flat angles P-C4'-P energy: -4.735 tors. eta vs tors. theta energy: -1.737 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: 6 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -38.439196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.439196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.439196 (E_RNA) where: Base-Base interactions energy: -20.918 where: short stacking energy: -20.918 Base-Backbone interact. energy: -0.054 local terms energy: -17.466931 where: bonds (distance) C4'-P energy: -2.952 bonds (distance) P-C4' energy: -4.585 flat angles C4'-P-C4' energy: -7.024 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: 0.234 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: 10, replica: 1 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -53.182228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.182228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.182228 (E_RNA) where: Base-Base interactions energy: -22.466 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.033 local terms energy: -30.682400 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.921 flat angles P-C4'-P energy: -2.436 tors. eta vs tors. theta energy: -5.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -60.736725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.736725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.736725 (E_RNA) where: Base-Base interactions energy: -23.924 where: short stacking energy: -23.924 Base-Backbone interact. energy: -0.091 local terms energy: -36.721998 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -6.544 tors. eta vs tors. theta energy: -6.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -74.500460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.500460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.500460 (E_RNA) where: Base-Base interactions energy: -33.828 where: short stacking energy: -33.828 Base-Backbone interact. energy: -0.000 local terms energy: -40.672844 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -4.666 tors. eta vs tors. theta energy: -10.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -67.316323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.316323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.316323 (E_RNA) where: Base-Base interactions energy: -35.283 where: short stacking energy: -25.745 Base-Backbone interact. energy: -0.007 local terms energy: -32.026220 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -3.598 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: 4, replica: 8 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -53.897418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.897418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.897418 (E_RNA) where: Base-Base interactions energy: -26.450 where: short stacking energy: -20.522 Base-Backbone interact. energy: -0.001 local terms energy: -27.446588 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.824 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -1.638 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: 5, replica: 4 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -53.069742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.069742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.069742 (E_RNA) where: Base-Base interactions energy: -29.846 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.074 local terms energy: -23.150316 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -2.865 tors. eta vs tors. theta energy: -1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -48.936876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.936876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.936876 (E_RNA) where: Base-Base interactions energy: -22.058 where: short stacking energy: -10.091 Base-Backbone interact. energy: -0.121 local terms energy: -26.758086 where: bonds (distance) C4'-P energy: -4.545 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -1.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -46.064600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.064600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.064600 (E_RNA) where: Base-Base interactions energy: -15.296 where: short stacking energy: -12.778 Base-Backbone interact. energy: -1.148 local terms energy: -29.620933 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.410 flat angles P-C4'-P energy: -5.383 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -40.533825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.533825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.533825 (E_RNA) where: Base-Base interactions energy: -11.829 where: short stacking energy: -9.720 Base-Backbone interact. energy: -0.001 local terms energy: -28.704159 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.049 flat angles P-C4'-P energy: -1.498 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -39.328227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.328227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.328227 (E_RNA) where: Base-Base interactions energy: -13.271 where: short stacking energy: -9.858 Base-Backbone interact. energy: -0.131 local terms energy: -25.926053 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -3.348 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: 10, replica: 1 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -45.801997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.801997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.801997 (E_RNA) where: Base-Base interactions energy: -21.206 where: short stacking energy: -21.206 Base-Backbone interact. energy: -0.002 local terms energy: -24.593920 where: bonds (distance) C4'-P energy: -3.035 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -5.183 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -64.505342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.505342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.505342 (E_RNA) where: Base-Base interactions energy: -28.242 where: short stacking energy: -28.242 Base-Backbone interact. energy: -0.000 local terms energy: -36.262910 where: bonds (distance) C4'-P energy: -5.791 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.859 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -9.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -67.702546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.702546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.702546 (E_RNA) where: Base-Base interactions energy: -27.694 where: short stacking energy: -27.694 Base-Backbone interact. energy: -0.000 local terms energy: -40.008577 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -9.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -57.438248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.438248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.438248 (E_RNA) where: Base-Base interactions energy: -24.078 where: short stacking energy: -24.078 Base-Backbone interact. energy: -0.048 local terms energy: -33.312733 where: bonds (distance) C4'-P energy: -6.237 bonds (distance) P-C4' energy: -6.586 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -7.463 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: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -55.987139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.987139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.987139 (E_RNA) where: Base-Base interactions energy: -24.707 where: short stacking energy: -19.042 Base-Backbone interact. energy: -0.002 local terms energy: -31.277727 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -5.123 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: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -48.890807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.890807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.890807 (E_RNA) where: Base-Base interactions energy: -15.165 where: short stacking energy: -15.165 Base-Backbone interact. energy: -0.006 local terms energy: -33.720162 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -9.477 flat angles P-C4'-P energy: -5.027 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: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -47.728470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.728470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.728470 (E_RNA) where: Base-Base interactions energy: -23.083 where: short stacking energy: -23.083 Base-Backbone interact. energy: -0.023 local terms energy: -24.622652 where: bonds (distance) C4'-P energy: -3.423 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -3.962 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: 7, replica: 6 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -45.430034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.430034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.430034 (E_RNA) where: Base-Base interactions energy: -16.064 where: short stacking energy: -16.064 Base-Backbone interact. energy: -0.014 local terms energy: -29.351716 where: bonds (distance) C4'-P energy: -3.973 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.229 flat angles P-C4'-P energy: -5.862 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: 8, replica: 5 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -47.800646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.800646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.800646 (E_RNA) where: Base-Base interactions energy: -17.809 where: short stacking energy: -17.809 Base-Backbone interact. energy: -0.000 local terms energy: -29.991205 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.441 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: 9, replica: 9 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -42.385640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.385640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.385640 (E_RNA) where: Base-Base interactions energy: -14.762 where: short stacking energy: -10.108 Base-Backbone interact. energy: -0.022 local terms energy: -27.601152 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -0.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -42.454334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.454334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.454334 (E_RNA) where: Base-Base interactions energy: -12.901 where: short stacking energy: -12.758 Base-Backbone interact. energy: -0.399 local terms energy: -29.154205 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.541 flat angles P-C4'-P energy: -2.976 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: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -73.882912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.882912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.882912 (E_RNA) where: Base-Base interactions energy: -32.644 where: short stacking energy: -32.644 Base-Backbone interact. energy: -0.001 local terms energy: -41.238441 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -7.130 tors. eta vs tors. theta energy: -9.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -55.734637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.734637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.734637 (E_RNA) where: Base-Base interactions energy: -28.990 where: short stacking energy: -16.732 Base-Backbone interact. energy: 0.417 local terms energy: -27.161731 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.892 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -54.281543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.281543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.281543 (E_RNA) where: Base-Base interactions energy: -25.814 where: short stacking energy: -25.814 Base-Backbone interact. energy: -0.001 local terms energy: -28.466747 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.214 flat angles C4'-P-C4' energy: -5.078 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -4.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -72.343084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.343084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.343084 (E_RNA) where: Base-Base interactions energy: -34.380 where: short stacking energy: -23.663 Base-Backbone interact. energy: -0.001 local terms energy: -37.962977 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -6.864 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: 5, replica: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -53.275599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.275599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.275599 (E_RNA) where: Base-Base interactions energy: -20.959 where: short stacking energy: -16.163 Base-Backbone interact. energy: -0.000 local terms energy: -32.316071 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -6.857 tors. eta vs tors. theta energy: -2.764 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: 4 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -56.521795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.521795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.521795 (E_RNA) where: Base-Base interactions energy: -25.306 where: short stacking energy: -24.228 Base-Backbone interact. energy: -0.008 local terms energy: -31.208085 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -2.997 flat angles P-C4'-P energy: -6.030 tors. eta vs tors. theta energy: -7.672 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: 7, replica: 6 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -43.268139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.268139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.268139 (E_RNA) where: Base-Base interactions energy: -9.707 where: short stacking energy: -6.823 Base-Backbone interact. energy: -0.751 local terms energy: -32.809832 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -5.638 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: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -51.802294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.802294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.802294 (E_RNA) where: Base-Base interactions energy: -24.563 where: short stacking energy: -24.563 Base-Backbone interact. energy: -0.130 local terms energy: -27.109259 where: bonds (distance) C4'-P energy: -7.001 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -1.170 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: 9, replica: 5 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -40.148507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.148507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.148507 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.086 local terms energy: -24.121704 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: 2.327 tors. eta vs tors. theta energy: -1.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -38.393124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.393124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.393124 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.009 local terms energy: -22.594749 where: bonds (distance) C4'-P energy: -3.547 bonds (distance) P-C4' energy: -4.818 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -2.592 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: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -66.332104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.332104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.332104 (E_RNA) where: Base-Base interactions energy: -29.708 where: short stacking energy: -29.708 Base-Backbone interact. energy: -0.002 local terms energy: -36.622465 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.297 flat angles C4'-P-C4' energy: -9.169 flat angles P-C4'-P energy: -3.806 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -58.383769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.383769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.383769 (E_RNA) where: Base-Base interactions energy: -24.774 where: short stacking energy: -20.129 Base-Backbone interact. energy: 2.589 local terms energy: -36.198262 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.912 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: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -64.143667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.143667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.143667 (E_RNA) where: Base-Base interactions energy: -31.964 where: short stacking energy: -26.102 Base-Backbone interact. energy: -0.000 local terms energy: -32.179865 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.900 flat angles P-C4'-P energy: -4.503 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: 10 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -54.650021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.650021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.650021 (E_RNA) where: Base-Base interactions energy: -22.326 where: short stacking energy: -22.326 Base-Backbone interact. energy: -0.027 local terms energy: -32.297380 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -4.338 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: 5, replica: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -64.237696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.237696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.237696 (E_RNA) where: Base-Base interactions energy: -38.502 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.103 local terms energy: -25.632519 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -6.143 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -6.024 tors. eta vs tors. theta energy: -1.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -48.354082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.354082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.354082 (E_RNA) where: Base-Base interactions energy: -17.016 where: short stacking energy: -16.358 Base-Backbone interact. energy: -0.188 local terms energy: -31.149719 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -1.933 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: 7, replica: 6 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -41.645311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.645311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.645311 (E_RNA) where: Base-Base interactions energy: -16.109 where: short stacking energy: -16.109 Base-Backbone interact. energy: -0.102 local terms energy: -25.433948 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -2.879 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -39.630861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.630861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.630861 (E_RNA) where: Base-Base interactions energy: -12.162 where: short stacking energy: -12.162 Base-Backbone interact. energy: -0.015 local terms energy: -27.453340 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -0.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -46.295177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.295177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.295177 (E_RNA) where: Base-Base interactions energy: -21.231 where: short stacking energy: -11.279 Base-Backbone interact. energy: -0.011 local terms energy: -25.052840 where: bonds (distance) C4'-P energy: -5.397 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -6.034 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: 10, replica: 1 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -43.582515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.582515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.582515 (E_RNA) where: Base-Base interactions energy: -14.045 where: short stacking energy: -14.045 Base-Backbone interact. energy: -0.002 local terms energy: -29.535566 where: bonds (distance) C4'-P energy: -4.222 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -4.511 tors. eta vs tors. theta energy: -5.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -66.532257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.532257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.532257 (E_RNA) where: Base-Base interactions energy: -26.659 where: short stacking energy: -26.659 Base-Backbone interact. energy: -0.000 local terms energy: -39.873346 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.358 flat angles P-C4'-P energy: -6.920 tors. eta vs tors. theta energy: -9.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -62.015007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.015007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.015007 (E_RNA) where: Base-Base interactions energy: -30.650 where: short stacking energy: -24.477 Base-Backbone interact. energy: -0.034 local terms energy: -31.330646 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -4.974 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: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -58.405177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.405177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.405177 (E_RNA) where: Base-Base interactions energy: -31.715 where: short stacking energy: -24.992 Base-Backbone interact. energy: -0.001 local terms energy: -26.689530 where: bonds (distance) C4'-P energy: -2.819 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.016 flat angles P-C4'-P energy: -5.663 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -54.786297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.786297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.786297 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.022 local terms energy: -30.231037 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.984 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -2.289 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: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -53.457876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.457876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.457876 (E_RNA) where: Base-Base interactions energy: -26.025 where: short stacking energy: -26.025 Base-Backbone interact. energy: -0.174 local terms energy: -27.259087 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.549 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -2.375 tors. eta vs tors. theta energy: -2.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -54.706979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.706979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.706979 (E_RNA) where: Base-Base interactions energy: -25.909 where: short stacking energy: -17.635 Base-Backbone interact. energy: -0.023 local terms energy: -28.774617 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -3.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -50.103654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.103654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.103654 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.000 local terms energy: -31.856368 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.977 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -2.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -43.137601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.137601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.137601 (E_RNA) where: Base-Base interactions energy: -15.334 where: short stacking energy: -15.250 Base-Backbone interact. energy: -0.005 local terms energy: -27.798940 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -5.485 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: 9, replica: 9 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -44.072313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.072313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.072313 (E_RNA) where: Base-Base interactions energy: -20.431 where: short stacking energy: -16.299 Base-Backbone interact. energy: -0.013 local terms energy: -23.628226 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -5.895 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -42.919148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.919148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.919148 (E_RNA) where: Base-Base interactions energy: -22.146 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.050 local terms energy: -20.722390 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -2.485 tors. eta vs tors. theta energy: 0.771 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: 1, replica: 2 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -70.009305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.009305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.009305 (E_RNA) where: Base-Base interactions energy: -31.032 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.000 local terms energy: -38.977439 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -6.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -62.177209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.177209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.177209 (E_RNA) where: Base-Base interactions energy: -26.082 where: short stacking energy: -26.082 Base-Backbone interact. energy: -0.078 local terms energy: -36.016943 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -5.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -58.530338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.530338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.530338 (E_RNA) where: Base-Base interactions energy: -25.046 where: short stacking energy: -25.046 Base-Backbone interact. energy: -0.000 local terms energy: -33.483999 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -6.208 tors. eta vs tors. theta energy: -6.283 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: 8 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -70.609766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.609766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.609766 (E_RNA) where: Base-Base interactions energy: -36.594 where: short stacking energy: -23.382 Base-Backbone interact. energy: -0.021 local terms energy: -33.995062 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -3.049 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: 5, replica: 6 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -59.640662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.640662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.640662 (E_RNA) where: Base-Base interactions energy: -26.417 where: short stacking energy: -13.692 Base-Backbone interact. energy: -2.584 local terms energy: -30.640296 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.175 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -5.512 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: 7 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -61.612640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.612640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.612640 (E_RNA) where: Base-Base interactions energy: -31.996 where: short stacking energy: -22.112 Base-Backbone interact. energy: -0.115 local terms energy: -29.502091 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.339 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: 0.048 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: 5 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -49.870515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.870515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.870515 (E_RNA) where: Base-Base interactions energy: -22.596 where: short stacking energy: -14.797 Base-Backbone interact. energy: -0.095 local terms energy: -27.179779 where: bonds (distance) C4'-P energy: -4.277 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -6.651 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -42.607397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.607397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.607397 (E_RNA) where: Base-Base interactions energy: -17.535 where: short stacking energy: -17.535 Base-Backbone interact. energy: -0.127 local terms energy: -24.944964 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -3.694 flat angles C4'-P-C4' energy: -2.020 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -3.832 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: 1 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -50.809853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.809853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.809853 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -12.778 Base-Backbone interact. energy: -0.069 local terms energy: -27.546100 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -3.607 flat angles P-C4'-P energy: -3.120 tors. eta vs tors. theta energy: -3.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -42.214750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.214750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.214750 (E_RNA) where: Base-Base interactions energy: -20.661 where: short stacking energy: -11.041 Base-Backbone interact. energy: -0.032 local terms energy: -21.521104 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: 0.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -75.663755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.663755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.663755 (E_RNA) where: Base-Base interactions energy: -39.302 where: short stacking energy: -32.487 Base-Backbone interact. energy: -0.000 local terms energy: -36.361909 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -3.427 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: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -60.667868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.667868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.667868 (E_RNA) where: Base-Base interactions energy: -24.715 where: short stacking energy: -24.715 Base-Backbone interact. energy: -0.378 local terms energy: -35.574236 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.373 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -6.907 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: 3 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -59.525239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.525239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.525239 (E_RNA) where: Base-Base interactions energy: -27.932 where: short stacking energy: -20.254 Base-Backbone interact. energy: -0.135 local terms energy: -31.458944 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -5.173 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: 4, replica: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -55.927222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.927222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.927222 (E_RNA) where: Base-Base interactions energy: -22.298 where: short stacking energy: -22.298 Base-Backbone interact. energy: -0.025 local terms energy: -33.603529 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.638 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -4.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -55.759132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.759132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.759132 (E_RNA) where: Base-Base interactions energy: -23.341 where: short stacking energy: -23.246 Base-Backbone interact. energy: -0.016 local terms energy: -32.402158 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.198 flat angles P-C4'-P energy: -2.988 tors. eta vs tors. theta energy: -4.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -50.885000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.885000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.885000 (E_RNA) where: Base-Base interactions energy: -21.139 where: short stacking energy: -17.659 Base-Backbone interact. energy: -0.071 local terms energy: -29.674717 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -6.279 flat angles C4'-P-C4' energy: -8.704 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -3.322 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: 7, replica: 7 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -53.943865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.943865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.943865 (E_RNA) where: Base-Base interactions energy: -20.689 where: short stacking energy: -20.689 Base-Backbone interact. energy: -0.056 local terms energy: -33.198715 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -3.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -45.644670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.644670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.644670 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.001 local terms energy: -28.774628 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -1.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -48.804449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.804449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.804449 (E_RNA) where: Base-Base interactions energy: -17.638 where: short stacking energy: -17.638 Base-Backbone interact. energy: -0.035 local terms energy: -31.131341 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -5.871 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -4.586 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: 10, replica: 9 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -39.726005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.726005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.726005 (E_RNA) where: Base-Base interactions energy: -12.107 where: short stacking energy: -11.964 Base-Backbone interact. energy: -0.063 local terms energy: -27.556795 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -0.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -66.664886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.664886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.664886 (E_RNA) where: Base-Base interactions energy: -27.382 where: short stacking energy: -27.382 Base-Backbone interact. energy: -0.000 local terms energy: -39.283143 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -6.997 tors. eta vs tors. theta energy: -10.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -58.324961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.324961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.324961 (E_RNA) where: Base-Base interactions energy: -24.447 where: short stacking energy: -24.447 Base-Backbone interact. energy: -0.000 local terms energy: -33.877847 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -7.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -52.586188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.586188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.586188 (E_RNA) where: Base-Base interactions energy: -22.331 where: short stacking energy: -21.303 Base-Backbone interact. energy: -0.106 local terms energy: -30.148728 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -4.615 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -4.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -47.127059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.127059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.127059 (E_RNA) where: Base-Base interactions energy: -19.210 where: short stacking energy: -10.417 Base-Backbone interact. energy: -0.406 local terms energy: -27.510480 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: 0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -49.090667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.090667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.090667 (E_RNA) where: Base-Base interactions energy: -16.073 where: short stacking energy: -16.073 Base-Backbone interact. energy: -0.030 local terms energy: -32.987487 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.716 flat angles P-C4'-P energy: -6.123 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: 6, replica: 8 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -42.351082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.351082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.351082 (E_RNA) where: Base-Base interactions energy: -12.515 where: short stacking energy: -12.515 Base-Backbone interact. energy: -0.133 local terms energy: -29.703604 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.562 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -2.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -44.511366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.511366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.511366 (E_RNA) where: Base-Base interactions energy: -12.577 where: short stacking energy: -12.577 Base-Backbone interact. energy: -0.000 local terms energy: -31.934121 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -3.355 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: 8, replica: 7 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -48.883195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.883195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.883195 (E_RNA) where: Base-Base interactions energy: -15.800 where: short stacking energy: -15.800 Base-Backbone interact. energy: -0.001 local terms energy: -33.082746 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.808 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: 9, replica: 9 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -49.226058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.226058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.226058 (E_RNA) where: Base-Base interactions energy: -17.938 where: short stacking energy: -17.938 Base-Backbone interact. energy: -0.000 local terms energy: -31.288456 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -4.323 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: 10, replica: 4 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -38.601645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.601645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.601645 (E_RNA) where: Base-Base interactions energy: -11.749 where: short stacking energy: -11.492 Base-Backbone interact. energy: -0.050 local terms energy: -26.802582 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: 0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -62.309361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.309361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.309361 (E_RNA) where: Base-Base interactions energy: -26.913 where: short stacking energy: -26.913 Base-Backbone interact. energy: -0.001 local terms energy: -35.395318 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.072 flat angles P-C4'-P energy: -7.518 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -69.724894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.724894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.724894 (E_RNA) where: Base-Base interactions energy: -34.460 where: short stacking energy: -33.882 Base-Backbone interact. energy: -0.000 local terms energy: -35.265296 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -2.823 tors. eta vs tors. theta energy: -9.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -62.379266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.379266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.379266 (E_RNA) where: Base-Base interactions energy: -25.011 where: short stacking energy: -25.011 Base-Backbone interact. energy: -0.076 local terms energy: -37.291857 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -6.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -61.209012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.209012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.209012 (E_RNA) where: Base-Base interactions energy: -33.154 where: short stacking energy: -17.891 Base-Backbone interact. energy: -0.001 local terms energy: -28.054485 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -4.854 tors. eta vs tors. theta energy: -3.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -50.372913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.372913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.372913 (E_RNA) where: Base-Base interactions energy: -19.862 where: short stacking energy: -19.862 Base-Backbone interact. energy: -0.078 local terms energy: -30.432323 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -4.686 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: 6, replica: 1 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -52.843051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.843051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.843051 (E_RNA) where: Base-Base interactions energy: -23.876 where: short stacking energy: -22.931 Base-Backbone interact. energy: -0.001 local terms energy: -28.966298 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -5.214 flat angles P-C4'-P energy: -3.848 tors. eta vs tors. theta energy: -3.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -46.063227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.063227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.063227 (E_RNA) where: Base-Base interactions energy: -17.256 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.113 local terms energy: -28.694781 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -0.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -49.092303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.092303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.092303 (E_RNA) where: Base-Base interactions energy: -23.242 where: short stacking energy: -23.119 Base-Backbone interact. energy: 1.097 local terms energy: -26.947339 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -4.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -46.559688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.559688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.559688 (E_RNA) where: Base-Base interactions energy: -16.199 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.007 local terms energy: -30.353793 where: bonds (distance) C4'-P energy: -5.593 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.112 flat angles P-C4'-P energy: -5.272 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: 10, replica: 4 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -45.937372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.937372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.937372 (E_RNA) where: Base-Base interactions energy: -20.035 where: short stacking energy: -20.035 Base-Backbone interact. energy: 0.995 local terms energy: -26.897960 where: bonds (distance) C4'-P energy: -2.461 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -2.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -61.377752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.377752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.377752 (E_RNA) where: Base-Base interactions energy: -26.579 where: short stacking energy: -26.579 Base-Backbone interact. energy: -0.000 local terms energy: -34.798623 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -5.424 tors. eta vs tors. theta energy: -6.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -56.803580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.803580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.803580 (E_RNA) where: Base-Base interactions energy: -22.251 where: short stacking energy: -22.251 Base-Backbone interact. energy: -0.031 local terms energy: -34.522230 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.218 flat angles P-C4'-P energy: -5.549 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: 3, replica: 5 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -64.190874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.190874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.190874 (E_RNA) where: Base-Base interactions energy: -27.629 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.000 local terms energy: -36.561521 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -6.994 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -9.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -55.315151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.315151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.315151 (E_RNA) where: Base-Base interactions energy: -23.021 where: short stacking energy: -23.021 Base-Backbone interact. energy: -0.000 local terms energy: -32.294060 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -5.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -50.438626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.438626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.438626 (E_RNA) where: Base-Base interactions energy: -17.773 where: short stacking energy: -17.773 Base-Backbone interact. energy: -0.113 local terms energy: -32.552057 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -5.445 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: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -51.717370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.717370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.717370 (E_RNA) where: Base-Base interactions energy: -17.948 where: short stacking energy: -17.948 Base-Backbone interact. energy: -0.377 local terms energy: -33.392624 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -4.132 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -53.008650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.008650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.008650 (E_RNA) where: Base-Base interactions energy: -21.790 where: short stacking energy: -21.790 Base-Backbone interact. energy: -0.077 local terms energy: -31.141457 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -50.112150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.112150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.112150 (E_RNA) where: Base-Base interactions energy: -25.479 where: short stacking energy: -24.109 Base-Backbone interact. energy: 1.764 local terms energy: -26.397008 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -1.850 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: 4 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -50.174431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.174431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.174431 (E_RNA) where: Base-Base interactions energy: -19.750 where: short stacking energy: -19.750 Base-Backbone interact. energy: -0.006 local terms energy: -30.418073 where: bonds (distance) C4'-P energy: -6.395 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.039 flat angles P-C4'-P energy: -6.064 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: 10, replica: 7 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -41.017396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.017396 (E_RNA) where: Base-Base interactions energy: -16.486 where: short stacking energy: -12.684 Base-Backbone interact. energy: -0.692 local terms energy: -23.839252 where: bonds (distance) C4'-P energy: -4.044 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -2.288 tors. eta vs tors. theta energy: -3.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -64.088664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.088664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.088664 (E_RNA) where: Base-Base interactions energy: -28.058 where: short stacking energy: -27.843 Base-Backbone interact. energy: -0.006 local terms energy: -36.024509 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -66.389972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.389972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.389972 (E_RNA) where: Base-Base interactions energy: -30.319 where: short stacking energy: -30.319 Base-Backbone interact. energy: -0.000 local terms energy: -36.070811 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -6.322 tors. eta vs tors. theta energy: -8.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -58.756315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.756315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.756315 (E_RNA) where: Base-Base interactions energy: -24.452 where: short stacking energy: -24.452 Base-Backbone interact. energy: -0.088 local terms energy: -34.216605 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.293 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: 4, replica: 1 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -53.778358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.778358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.778358 (E_RNA) where: Base-Base interactions energy: -18.215 where: short stacking energy: -18.215 Base-Backbone interact. energy: -0.097 local terms energy: -35.466295 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -5.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -53.806812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.806812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.806812 (E_RNA) where: Base-Base interactions energy: -21.196 where: short stacking energy: -21.196 Base-Backbone interact. energy: -0.002 local terms energy: -32.609415 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -4.846 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -58.389224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.389224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.389224 (E_RNA) where: Base-Base interactions energy: -23.718 where: short stacking energy: -23.718 Base-Backbone interact. energy: -0.008 local terms energy: -34.662688 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -5.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -45.034391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.034391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.034391 (E_RNA) where: Base-Base interactions energy: -13.307 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.000 local terms energy: -31.727247 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -4.013 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: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -45.708603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.708603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.708603 (E_RNA) where: Base-Base interactions energy: -16.370 where: short stacking energy: -16.370 Base-Backbone interact. energy: -0.011 local terms energy: -29.327690 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -6.532 flat angles P-C4'-P energy: -1.898 tors. eta vs tors. theta energy: -3.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -40.863093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.863093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.863093 (E_RNA) where: Base-Base interactions energy: -14.480 where: short stacking energy: -14.480 Base-Backbone interact. energy: -0.010 local terms energy: -26.373129 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.486 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -1.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -39.662922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.662922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.662922 (E_RNA) where: Base-Base interactions energy: -13.944 where: short stacking energy: -7.089 Base-Backbone interact. energy: -0.367 local terms energy: -25.351049 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: 3.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -76.645712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.645712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.645712 (E_RNA) where: Base-Base interactions energy: -42.834 where: short stacking energy: -34.435 Base-Backbone interact. energy: -0.066 local terms energy: -33.746141 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -4.023 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: 2, replica: 2 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -64.559717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.559717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.559717 (E_RNA) where: Base-Base interactions energy: -27.411 where: short stacking energy: -27.100 Base-Backbone interact. energy: -0.001 local terms energy: -37.148047 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -52.617540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.617540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.617540 (E_RNA) where: Base-Base interactions energy: -18.488 where: short stacking energy: -17.690 Base-Backbone interact. energy: -0.001 local terms energy: -34.129423 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -6.014 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: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -59.837303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.837303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.837303 (E_RNA) where: Base-Base interactions energy: -24.650 where: short stacking energy: -24.650 Base-Backbone interact. energy: -0.006 local terms energy: -35.180884 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -9.304 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -55.345671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.345671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.345671 (E_RNA) where: Base-Base interactions energy: -21.824 where: short stacking energy: -21.824 Base-Backbone interact. energy: -0.000 local terms energy: -33.521694 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -6.401 flat angles P-C4'-P energy: -5.948 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: 6, replica: 10 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -52.762868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.762868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.762868 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -22.945 Base-Backbone interact. energy: -0.015 local terms energy: -29.802451 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -5.687 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -1.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -50.984048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.984048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.984048 (E_RNA) where: Base-Base interactions energy: -18.005 where: short stacking energy: -18.005 Base-Backbone interact. energy: -0.001 local terms energy: -32.978395 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.690 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: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -42.470306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.470306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.470306 (E_RNA) where: Base-Base interactions energy: -12.776 where: short stacking energy: -11.847 Base-Backbone interact. energy: 0.133 local terms energy: -29.827318 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.317 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -5.342 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: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -42.602049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.602049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.602049 (E_RNA) where: Base-Base interactions energy: -17.320 where: short stacking energy: -10.893 Base-Backbone interact. energy: -0.001 local terms energy: -25.281192 where: bonds (distance) C4'-P energy: -4.772 bonds (distance) P-C4' energy: -5.497 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -36.987591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.987591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.987591 (E_RNA) where: Base-Base interactions energy: -10.930 where: short stacking energy: -10.930 Base-Backbone interact. energy: -0.074 local terms energy: -25.983681 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -5.908 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -2.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -77.985203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.985203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.985203 (E_RNA) where: Base-Base interactions energy: -36.798 where: short stacking energy: -31.292 Base-Backbone interact. energy: -0.850 local terms energy: -40.337191 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -6.701 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: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -63.268139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.268139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.268139 (E_RNA) where: Base-Base interactions energy: -31.629 where: short stacking energy: -25.678 Base-Backbone interact. energy: -0.004 local terms energy: -31.635674 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -2.631 tors. eta vs tors. theta energy: -6.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -60.980247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.980247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.980247 (E_RNA) where: Base-Base interactions energy: -23.608 where: short stacking energy: -23.608 Base-Backbone interact. energy: -0.000 local terms energy: -37.372258 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -4.948 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: 4, replica: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -64.488175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.488175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.488175 (E_RNA) where: Base-Base interactions energy: -34.899 where: short stacking energy: -19.815 Base-Backbone interact. energy: -0.001 local terms energy: -29.588588 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.256 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -3.803 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: 5, replica: 6 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -51.082031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.082031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.082031 (E_RNA) where: Base-Base interactions energy: -19.926 where: short stacking energy: -19.926 Base-Backbone interact. energy: -0.072 local terms energy: -31.083623 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.015 flat angles P-C4'-P energy: -4.324 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: 6, replica: 4 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -57.851670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.851670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.851670 (E_RNA) where: Base-Base interactions energy: -23.514 where: short stacking energy: -23.514 Base-Backbone interact. energy: -0.095 local terms energy: -34.242517 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -6.113 tors. eta vs tors. theta energy: -4.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -46.428129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.428129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.428129 (E_RNA) where: Base-Base interactions energy: -15.228 where: short stacking energy: -13.048 Base-Backbone interact. energy: -0.111 local terms energy: -31.088693 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -6.153 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -5.863 tors. eta vs tors. theta energy: -2.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -42.819073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.819073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.819073 (E_RNA) where: Base-Base interactions energy: -14.585 where: short stacking energy: -14.585 Base-Backbone interact. energy: -0.068 local terms energy: -28.165818 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -3.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -42.489397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.489397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.489397 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.002 local terms energy: -30.366933 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.742 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -43.080721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.080721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.080721 (E_RNA) where: Base-Base interactions energy: -17.582 where: short stacking energy: -13.052 Base-Backbone interact. energy: -1.006 local terms energy: -24.492168 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -0.769 tors. eta vs tors. theta energy: -1.524 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: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -65.159135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.159135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.159135 (E_RNA) where: Base-Base interactions energy: -34.501 where: short stacking energy: -24.708 Base-Backbone interact. energy: -0.011 local terms energy: -30.647164 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -4.504 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: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -81.452931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.452931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.452931 (E_RNA) where: Base-Base interactions energy: -46.338 where: short stacking energy: -22.520 Base-Backbone interact. energy: -0.704 local terms energy: -34.410565 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.719 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -5.617 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: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -52.349527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.349527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.349527 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.069 local terms energy: -33.726107 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.789 tors. eta vs tors. theta energy: -2.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -50.084557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.084557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.084557 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -19.115 Base-Backbone interact. energy: -0.002 local terms energy: -30.967625 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -4.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -53.077259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.077259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.077259 (E_RNA) where: Base-Base interactions energy: -23.645 where: short stacking energy: -17.804 Base-Backbone interact. energy: -0.000 local terms energy: -29.431747 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -2.323 tors. eta vs tors. theta energy: -4.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -48.932991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.932991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.932991 (E_RNA) where: Base-Base interactions energy: -23.581 where: short stacking energy: -23.581 Base-Backbone interact. energy: -0.001 local terms energy: -25.351072 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -2.966 flat angles P-C4'-P energy: -6.389 tors. eta vs tors. theta energy: -4.611 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: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -45.446676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.446676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.446676 (E_RNA) where: Base-Base interactions energy: -15.407 where: short stacking energy: -10.426 Base-Backbone interact. energy: -0.000 local terms energy: -30.039626 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -45.708695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.708695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.708695 (E_RNA) where: Base-Base interactions energy: -15.361 where: short stacking energy: -15.361 Base-Backbone interact. energy: -0.041 local terms energy: -30.306428 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -4.867 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -4.346 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: 9, replica: 8 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -39.617189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.617189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.617189 (E_RNA) where: Base-Base interactions energy: -13.015 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.013 local terms energy: -26.589327 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -4.220 flat angles P-C4'-P energy: -6.046 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: 10, replica: 3 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -40.126408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.126408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.126408 (E_RNA) where: Base-Base interactions energy: -14.222 where: short stacking energy: -14.222 Base-Backbone interact. energy: -0.001 local terms energy: -25.903121 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -4.707 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: 419 Temperature: 0.900000 Total energy: -65.305987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.305987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.305987 (E_RNA) where: Base-Base interactions energy: -29.584 where: short stacking energy: -29.584 Base-Backbone interact. energy: -0.000 local terms energy: -35.721773 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -6.598 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: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -75.107836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.107836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.107836 (E_RNA) where: Base-Base interactions energy: -41.432 where: short stacking energy: -12.404 Base-Backbone interact. energy: -0.742 local terms energy: -32.934047 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -5.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -58.477399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.477399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.477399 (E_RNA) where: Base-Base interactions energy: -25.494 where: short stacking energy: -22.901 Base-Backbone interact. energy: -0.004 local terms energy: -32.980103 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: -2.670 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: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -52.472113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.472113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.472113 (E_RNA) where: Base-Base interactions energy: -25.109 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.023 local terms energy: -27.339714 where: bonds (distance) C4'-P energy: -4.976 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -2.596 tors. eta vs tors. theta energy: -2.372 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: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -49.127897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.127897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.127897 (E_RNA) where: Base-Base interactions energy: -22.326 where: short stacking energy: -22.326 Base-Backbone interact. energy: -0.000 local terms energy: -26.801805 where: bonds (distance) C4'-P energy: -5.672 bonds (distance) P-C4' energy: -5.886 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -4.123 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: 6, replica: 7 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -56.096421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.096421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.096421 (E_RNA) where: Base-Base interactions energy: -26.741 where: short stacking energy: -26.741 Base-Backbone interact. energy: -0.364 local terms energy: -28.990882 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -5.721 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -0.538 tors. eta vs tors. theta energy: -6.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -44.629677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.629677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.629677 (E_RNA) where: Base-Base interactions energy: -20.972 where: short stacking energy: -12.294 Base-Backbone interact. energy: -0.545 local terms energy: -23.112430 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.078 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -1.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -54.160956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.160956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.160956 (E_RNA) where: Base-Base interactions energy: -24.865 where: short stacking energy: -16.127 Base-Backbone interact. energy: -0.100 local terms energy: -29.196338 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -4.012 flat angles P-C4'-P energy: -3.531 tors. eta vs tors. theta energy: -4.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -45.521271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.521271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.521271 (E_RNA) where: Base-Base interactions energy: -14.569 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.725 local terms energy: -30.226743 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -3.082 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -46.932179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.932179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.932179 (E_RNA) where: Base-Base interactions energy: -16.982 where: short stacking energy: -12.381 Base-Backbone interact. energy: -0.001 local terms energy: -29.949137 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -2.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -73.712933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.712933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.712933 (E_RNA) where: Base-Base interactions energy: -43.050 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.512 local terms energy: -30.150876 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -4.560 flat angles C4'-P-C4' energy: -5.481 flat angles P-C4'-P energy: -5.570 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: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -61.511898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.511898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.511898 (E_RNA) where: Base-Base interactions energy: -27.882 where: short stacking energy: -27.882 Base-Backbone interact. energy: -0.000 local terms energy: -33.629614 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.552 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: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -52.389013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.389013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.389013 (E_RNA) where: Base-Base interactions energy: -21.562 where: short stacking energy: -21.562 Base-Backbone interact. energy: -0.048 local terms energy: -30.779736 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -0.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -53.854907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.854907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.854907 (E_RNA) where: Base-Base interactions energy: -21.033 where: short stacking energy: -19.926 Base-Backbone interact. energy: -0.116 local terms energy: -32.706388 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -5.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -56.723497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.723497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.723497 (E_RNA) where: Base-Base interactions energy: -24.348 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.000 local terms energy: -32.375905 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.691 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -4.575 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: 6, replica: 1 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -46.651671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.651671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.651671 (E_RNA) where: Base-Base interactions energy: -15.601 where: short stacking energy: -12.966 Base-Backbone interact. energy: -0.085 local terms energy: -30.965827 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.991 flat angles P-C4'-P energy: -4.525 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: 7, replica: 8 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -46.050980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.050980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.050980 (E_RNA) where: Base-Base interactions energy: -16.864 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.054 local terms energy: -29.132979 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -0.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -47.536000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.536000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.536000 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.001 local terms energy: -27.452195 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -3.623 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -5.913 tors. eta vs tors. theta energy: -4.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -47.070568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.070568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.070568 (E_RNA) where: Base-Base interactions energy: -24.983 where: short stacking energy: -13.307 Base-Backbone interact. energy: -0.155 local terms energy: -21.932326 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: 0.051 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: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -41.714346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.714346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.714346 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -12.930 Base-Backbone interact. energy: -0.062 local terms energy: -27.997116 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.270 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -2.616 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: 5 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -68.852619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.852619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.852619 (E_RNA) where: Base-Base interactions energy: -34.279 where: short stacking energy: -31.088 Base-Backbone interact. energy: -0.000 local terms energy: -34.573681 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -6.676 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: 2, replica: 9 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -62.126696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.126696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.126696 (E_RNA) where: Base-Base interactions energy: -29.677 where: short stacking energy: -29.677 Base-Backbone interact. energy: -0.069 local terms energy: -32.381310 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -5.458 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: -9.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -57.310025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.310025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.310025 (E_RNA) where: Base-Base interactions energy: -23.508 where: short stacking energy: -23.508 Base-Backbone interact. energy: -0.000 local terms energy: -33.802197 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -6.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -62.502823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.502823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.502823 (E_RNA) where: Base-Base interactions energy: -24.122 where: short stacking energy: -24.122 Base-Backbone interact. energy: -0.001 local terms energy: -38.379871 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -9.104 flat angles P-C4'-P energy: -5.306 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: 5, replica: 4 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -47.212033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.212033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.212033 (E_RNA) where: Base-Base interactions energy: -16.427 where: short stacking energy: -8.098 Base-Backbone interact. energy: -0.322 local terms energy: -30.463156 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: 0.416 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: 6, replica: 1 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -52.825009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.825009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.825009 (E_RNA) where: Base-Base interactions energy: -23.677 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.000 local terms energy: -29.147859 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -5.490 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.542 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: 7, replica: 8 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -41.105364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.105364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.105364 (E_RNA) where: Base-Base interactions energy: -15.718 where: short stacking energy: -11.212 Base-Backbone interact. energy: -0.003 local terms energy: -25.384986 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: 1.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -41.896300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.896300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.896300 (E_RNA) where: Base-Base interactions energy: -14.462 where: short stacking energy: -9.671 Base-Backbone interact. energy: -0.174 local terms energy: -27.259471 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -4.402 flat angles P-C4'-P energy: -3.965 tors. eta vs tors. theta energy: -3.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -41.341703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.341703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.341703 (E_RNA) where: Base-Base interactions energy: -13.696 where: short stacking energy: -13.696 Base-Backbone interact. energy: -0.003 local terms energy: -27.642411 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -1.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -44.745247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.745247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.745247 (E_RNA) where: Base-Base interactions energy: -15.044 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.001 local terms energy: -29.700295 where: bonds (distance) C4'-P energy: -6.260 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -3.904 tors. eta vs tors. theta energy: -3.988 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: 9 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -65.459795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.459795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.459795 (E_RNA) where: Base-Base interactions energy: -29.137 where: short stacking energy: -29.137 Base-Backbone interact. energy: -0.000 local terms energy: -36.323205 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -5.797 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: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -62.672902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.672902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.672902 (E_RNA) where: Base-Base interactions energy: -30.239 where: short stacking energy: -19.022 Base-Backbone interact. energy: 0.313 local terms energy: -32.746062 where: bonds (distance) C4'-P energy: -7.088 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -5.443 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -60.872183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.872183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.872183 (E_RNA) where: Base-Base interactions energy: -28.272 where: short stacking energy: -23.906 Base-Backbone interact. energy: -0.009 local terms energy: -32.591710 where: bonds (distance) C4'-P energy: -6.136 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.901 flat angles P-C4'-P energy: -7.137 tors. eta vs tors. theta energy: -6.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -60.212351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.212351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.212351 (E_RNA) where: Base-Base interactions energy: -30.410 where: short stacking energy: -22.778 Base-Backbone interact. energy: -0.096 local terms energy: -29.706444 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -4.350 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: 422 Temperature: 1.100000 Total energy: -54.361819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.361819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.361819 (E_RNA) where: Base-Base interactions energy: -26.716 where: short stacking energy: -15.046 Base-Backbone interact. energy: -0.021 local terms energy: -27.624850 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -0.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -55.265034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.265034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.265034 (E_RNA) where: Base-Base interactions energy: -27.557 where: short stacking energy: -20.997 Base-Backbone interact. energy: -0.000 local terms energy: -27.707567 where: bonds (distance) C4'-P energy: -5.167 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.068 flat angles P-C4'-P energy: -2.915 tors. eta vs tors. theta energy: -5.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -46.853623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.853623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.853623 (E_RNA) where: Base-Base interactions energy: -15.940 where: short stacking energy: -15.940 Base-Backbone interact. energy: -0.072 local terms energy: -30.841523 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -9.124 flat angles P-C4'-P energy: -6.463 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: 8, replica: 8 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -45.022117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.022117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.022117 (E_RNA) where: Base-Base interactions energy: -16.371 where: short stacking energy: -16.371 Base-Backbone interact. energy: -0.006 local terms energy: -28.645080 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -4.712 flat angles P-C4'-P energy: -5.352 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -40.866551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.866551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.866551 (E_RNA) where: Base-Base interactions energy: -10.796 where: short stacking energy: -10.704 Base-Backbone interact. energy: -0.028 local terms energy: -30.042106 where: bonds (distance) C4'-P energy: -8.606 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: 1.040 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: 6 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -38.739864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.739864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.739864 (E_RNA) where: Base-Base interactions energy: -10.185 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.005 local terms energy: -28.549427 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -2.633 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: 9 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -64.922624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.922624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.922624 (E_RNA) where: Base-Base interactions energy: -32.950 where: short stacking energy: -24.731 Base-Backbone interact. energy: -0.001 local terms energy: -31.971404 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -6.597 flat angles C4'-P-C4' energy: -8.970 flat angles P-C4'-P energy: -3.442 tors. eta vs tors. theta energy: -5.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -66.671687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.671687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.671687 (E_RNA) where: Base-Base interactions energy: -27.768 where: short stacking energy: -27.768 Base-Backbone interact. energy: -0.002 local terms energy: -38.902251 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.952 flat angles P-C4'-P energy: -4.492 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: 3, replica: 5 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -62.433248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.433248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.433248 (E_RNA) where: Base-Base interactions energy: -26.021 where: short stacking energy: -25.321 Base-Backbone interact. energy: -0.000 local terms energy: -36.411815 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.396 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -7.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -56.214123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.214123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.214123 (E_RNA) where: Base-Base interactions energy: -23.412 where: short stacking energy: -23.412 Base-Backbone interact. energy: -0.000 local terms energy: -32.802258 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -4.318 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -51.718734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.718734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.718734 (E_RNA) where: Base-Base interactions energy: -22.740 where: short stacking energy: -16.053 Base-Backbone interact. energy: -0.008 local terms energy: -28.971213 where: bonds (distance) C4'-P energy: -7.446 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -2.738 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: 6, replica: 4 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -56.486273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.486273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.486273 (E_RNA) where: Base-Base interactions energy: -22.979 where: short stacking energy: -22.979 Base-Backbone interact. energy: -0.003 local terms energy: -33.503980 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -5.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -53.874275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.874275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.874275 (E_RNA) where: Base-Base interactions energy: -25.573 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.000 local terms energy: -28.301496 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -5.736 flat angles P-C4'-P energy: -3.685 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: 8, replica: 10 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -59.247957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.247957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.247957 (E_RNA) where: Base-Base interactions energy: -29.650 where: short stacking energy: -24.192 Base-Backbone interact. energy: -0.000 local terms energy: -29.597317 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -1.448 tors. eta vs tors. theta energy: -6.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -40.473983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.473983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.473983 (E_RNA) where: Base-Base interactions energy: -11.581 where: short stacking energy: -11.581 Base-Backbone interact. energy: -0.004 local terms energy: -28.889041 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -5.066 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: 10, replica: 6 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -41.238138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.238138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.238138 (E_RNA) where: Base-Base interactions energy: -13.999 where: short stacking energy: -11.334 Base-Backbone interact. energy: -0.062 local terms energy: -27.176835 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -3.584 tors. eta vs tors. theta energy: -0.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -62.759686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.759686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.759686 (E_RNA) where: Base-Base interactions energy: -28.223 where: short stacking energy: -28.223 Base-Backbone interact. energy: -0.024 local terms energy: -34.513148 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -6.294 flat angles C4'-P-C4' energy: -9.170 flat angles P-C4'-P energy: -6.631 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: 2, replica: 9 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -59.415679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.415679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.415679 (E_RNA) where: Base-Base interactions energy: -25.442 where: short stacking energy: -21.452 Base-Backbone interact. energy: -0.001 local terms energy: -33.972895 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -6.975 tors. eta vs tors. theta energy: -5.943 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: 1 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -49.245292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.245292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.245292 (E_RNA) where: Base-Base interactions energy: -24.593 where: short stacking energy: -12.771 Base-Backbone interact. energy: -0.084 local terms energy: -24.568931 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -7.582 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: 0.010 tors. eta vs tors. theta energy: -2.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -56.331707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.331707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.331707 (E_RNA) where: Base-Base interactions energy: -23.489 where: short stacking energy: -23.489 Base-Backbone interact. energy: -0.079 local terms energy: -32.763734 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -4.520 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: 5, replica: 4 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -56.308000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.308000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.308000 (E_RNA) where: Base-Base interactions energy: -23.920 where: short stacking energy: -23.920 Base-Backbone interact. energy: -0.000 local terms energy: -32.387623 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -2.423 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: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -49.975414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.975414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.975414 (E_RNA) where: Base-Base interactions energy: -16.990 where: short stacking energy: -13.795 Base-Backbone interact. energy: -0.020 local terms energy: -32.965797 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -4.505 tors. eta vs tors. theta energy: -3.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -46.580008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.580008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.580008 (E_RNA) where: Base-Base interactions energy: -20.849 where: short stacking energy: -14.596 Base-Backbone interact. energy: -0.715 local terms energy: -25.016346 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -0.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -42.520517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.520517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.520517 (E_RNA) where: Base-Base interactions energy: -19.337 where: short stacking energy: -19.337 Base-Backbone interact. energy: -0.093 local terms energy: -23.090467 where: bonds (distance) C4'-P energy: -2.255 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.597 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -0.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -46.442505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.442505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.442505 (E_RNA) where: Base-Base interactions energy: -16.154 where: short stacking energy: -16.154 Base-Backbone interact. energy: -0.059 local terms energy: -30.229791 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -3.259 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -45.589875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.589875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.589875 (E_RNA) where: Base-Base interactions energy: -21.652 where: short stacking energy: -14.530 Base-Backbone interact. energy: -0.122 local terms energy: -23.815848 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -5.153 flat angles P-C4'-P energy: -3.336 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: 1, replica: 2 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -65.813213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.813213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.813213 (E_RNA) where: Base-Base interactions energy: -28.884 where: short stacking energy: -28.884 Base-Backbone interact. energy: -0.050 local terms energy: -36.879491 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -3.802 tors. eta vs tors. theta energy: -7.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -60.204911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.204911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.204911 (E_RNA) where: Base-Base interactions energy: -32.086 where: short stacking energy: -21.464 Base-Backbone interact. energy: -0.511 local terms energy: -27.607405 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -2.453 tors. eta vs tors. theta energy: -3.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -68.679248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.679248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.679248 (E_RNA) where: Base-Base interactions energy: -37.078 where: short stacking energy: -17.028 Base-Backbone interact. energy: -0.007 local terms energy: -31.593475 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.202 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -6.797 tors. eta vs tors. theta energy: -3.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -52.492226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.492226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.492226 (E_RNA) where: Base-Base interactions energy: -22.620 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.049 local terms energy: -29.823077 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -2.841 tors. eta vs tors. theta energy: -5.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -57.277905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.277905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.277905 (E_RNA) where: Base-Base interactions energy: -24.785 where: short stacking energy: -23.748 Base-Backbone interact. energy: -0.050 local terms energy: -32.442943 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -5.170 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -56.872242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.872242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.872242 (E_RNA) where: Base-Base interactions energy: -22.388 where: short stacking energy: -22.388 Base-Backbone interact. energy: -0.000 local terms energy: -34.483994 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -5.733 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: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -45.232804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.232804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.232804 (E_RNA) where: Base-Base interactions energy: -18.870 where: short stacking energy: -18.153 Base-Backbone interact. energy: -0.131 local terms energy: -26.232010 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -0.903 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: 8 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -43.360271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.360271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.360271 (E_RNA) where: Base-Base interactions energy: -19.024 where: short stacking energy: -13.578 Base-Backbone interact. energy: -0.044 local terms energy: -24.292454 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.395 flat angles P-C4'-P energy: -2.798 tors. eta vs tors. theta energy: -0.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -52.526616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.526616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.526616 (E_RNA) where: Base-Base interactions energy: -28.022 where: short stacking energy: -18.042 Base-Backbone interact. energy: -0.059 local terms energy: -24.445542 where: bonds (distance) C4'-P energy: -3.187 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.468 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: 6 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -38.711457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.711457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.711457 (E_RNA) where: Base-Base interactions energy: -10.489 where: short stacking energy: -10.489 Base-Backbone interact. energy: -0.008 local terms energy: -28.214155 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -5.857 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -4.963 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: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -62.669192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.669192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.669192 (E_RNA) where: Base-Base interactions energy: -33.117 where: short stacking energy: -20.719 Base-Backbone interact. energy: -0.018 local terms energy: -29.534148 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -5.103 tors. eta vs tors. theta energy: -1.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -72.091685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.091685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.091685 (E_RNA) where: Base-Base interactions energy: -38.041 where: short stacking energy: -24.729 Base-Backbone interact. energy: -1.053 local terms energy: -32.998222 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -6.377 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: 1 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -61.293978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.293978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.293978 (E_RNA) where: Base-Base interactions energy: -25.759 where: short stacking energy: -25.759 Base-Backbone interact. energy: -0.013 local terms energy: -35.522036 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -3.610 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: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -50.851564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.851564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.851564 (E_RNA) where: Base-Base interactions energy: -20.079 where: short stacking energy: -20.079 Base-Backbone interact. energy: -0.029 local terms energy: -30.744042 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -5.020 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: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -45.948617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.948617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.948617 (E_RNA) where: Base-Base interactions energy: -11.778 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.003 local terms energy: -34.166956 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -6.820 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: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -52.193802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193802 (E_RNA) where: Base-Base interactions energy: -20.186 where: short stacking energy: -15.766 Base-Backbone interact. energy: 0.153 local terms energy: -32.161410 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -5.508 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: 7, replica: 8 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -43.101486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.101486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.101486 (E_RNA) where: Base-Base interactions energy: -13.876 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.009 local terms energy: -29.215992 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.896 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -52.486098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.486098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.486098 (E_RNA) where: Base-Base interactions energy: -25.031 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.131 local terms energy: -27.323709 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.689 flat angles P-C4'-P energy: -4.974 tors. eta vs tors. theta energy: 1.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -46.350072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.350072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.350072 (E_RNA) where: Base-Base interactions energy: -15.792 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.002 local terms energy: -30.556186 where: bonds (distance) C4'-P energy: -6.608 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -6.994 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -2.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -57.460521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.460521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.460521 (E_RNA) where: Base-Base interactions energy: -33.051 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.000 local terms energy: -24.409484 where: bonds (distance) C4'-P energy: -4.126 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -3.486 flat angles P-C4'-P energy: -4.857 tors. eta vs tors. theta energy: -5.065 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: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -62.737234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.737234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.737234 (E_RNA) where: Base-Base interactions energy: -32.189 where: short stacking energy: -24.274 Base-Backbone interact. energy: -0.000 local terms energy: -30.547846 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: 0.049 tors. eta vs tors. theta energy: -4.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -60.253289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.253289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.253289 (E_RNA) where: Base-Base interactions energy: -23.138 where: short stacking energy: -22.830 Base-Backbone interact. energy: -0.000 local terms energy: -37.114743 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -7.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -57.058446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.058446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.058446 (E_RNA) where: Base-Base interactions energy: -24.709 where: short stacking energy: -24.709 Base-Backbone interact. energy: -0.001 local terms energy: -32.348679 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -5.147 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: 4 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -53.823518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.823518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.823518 (E_RNA) where: Base-Base interactions energy: -20.878 where: short stacking energy: -16.971 Base-Backbone interact. energy: 0.228 local terms energy: -33.173205 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -60.102642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.102642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.102642 (E_RNA) where: Base-Base interactions energy: -25.945 where: short stacking energy: -25.945 Base-Backbone interact. energy: -0.000 local terms energy: -34.157104 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.235 tors. eta vs tors. theta energy: -6.925 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: 8 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -56.259875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.259875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.259875 (E_RNA) where: Base-Base interactions energy: -25.487 where: short stacking energy: -25.487 Base-Backbone interact. energy: -0.001 local terms energy: -30.771461 where: bonds (distance) C4'-P energy: -4.851 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -5.150 flat angles P-C4'-P energy: -4.205 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: 7, replica: 5 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -42.527950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.527950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.527950 (E_RNA) where: Base-Base interactions energy: -14.657 where: short stacking energy: -14.657 Base-Backbone interact. energy: -0.174 local terms energy: -27.696717 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.167 flat angles P-C4'-P energy: -4.546 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -50.641698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.641698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.641698 (E_RNA) where: Base-Base interactions energy: -23.786 where: short stacking energy: -15.504 Base-Backbone interact. energy: -1.200 local terms energy: -25.656031 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -4.469 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -0.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -45.404585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.404585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.404585 (E_RNA) where: Base-Base interactions energy: -15.413 where: short stacking energy: -15.348 Base-Backbone interact. energy: -0.000 local terms energy: -29.991378 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -2.519 tors. eta vs tors. theta energy: -3.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -43.384810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.384810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.384810 (E_RNA) where: Base-Base interactions energy: -14.152 where: short stacking energy: -14.152 Base-Backbone interact. energy: -0.044 local terms energy: -29.188086 where: bonds (distance) C4'-P energy: -5.833 bonds (distance) P-C4' energy: -7.495 flat angles C4'-P-C4' energy: -6.769 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -5.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -63.710877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.710877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.710877 (E_RNA) where: Base-Base interactions energy: -26.989 where: short stacking energy: -26.989 Base-Backbone interact. energy: -0.090 local terms energy: -36.631205 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -6.250 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: 2, replica: 9 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -63.929567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.929567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.929567 (E_RNA) where: Base-Base interactions energy: -30.598 where: short stacking energy: -24.553 Base-Backbone interact. energy: -0.018 local terms energy: -33.313730 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -3.921 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: 3, replica: 4 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -55.429081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.429081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.429081 (E_RNA) where: Base-Base interactions energy: -23.673 where: short stacking energy: -23.068 Base-Backbone interact. energy: -0.001 local terms energy: -31.755481 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -6.490 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: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -55.568355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.568355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.568355 (E_RNA) where: Base-Base interactions energy: -21.848 where: short stacking energy: -21.848 Base-Backbone interact. energy: -0.010 local terms energy: -33.710434 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.342 flat angles P-C4'-P energy: -5.624 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: 5, replica: 10 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -48.579706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.579706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.579706 (E_RNA) where: Base-Base interactions energy: -18.005 where: short stacking energy: -18.005 Base-Backbone interact. energy: -0.047 local terms energy: -30.528093 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.803 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -2.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -43.415573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.415573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.415573 (E_RNA) where: Base-Base interactions energy: -16.404 where: short stacking energy: -16.404 Base-Backbone interact. energy: -0.178 local terms energy: -26.833510 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.850 flat angles P-C4'-P energy: -6.867 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: 7, replica: 6 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -51.357114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.357114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.357114 (E_RNA) where: Base-Base interactions energy: -17.774 where: short stacking energy: -14.350 Base-Backbone interact. energy: -2.584 local terms energy: -30.999245 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -5.680 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -45.922911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.922911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.922911 (E_RNA) where: Base-Base interactions energy: -15.665 where: short stacking energy: -15.665 Base-Backbone interact. energy: -0.082 local terms energy: -30.176056 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -6.164 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: 9, replica: 3 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -48.105540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.105540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.105540 (E_RNA) where: Base-Base interactions energy: -18.814 where: short stacking energy: -18.814 Base-Backbone interact. energy: -0.003 local terms energy: -29.288137 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -2.491 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: 10, replica: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -38.330359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.330359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.330359 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.105 local terms energy: -22.786818 where: bonds (distance) C4'-P energy: -4.409 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -1.248 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -74.036229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.036229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.036229 (E_RNA) where: Base-Base interactions energy: -45.852 where: short stacking energy: -23.062 Base-Backbone interact. energy: -0.035 local terms energy: -28.148891 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -1.380 tors. eta vs tors. theta energy: -3.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -58.382261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.382261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.382261 (E_RNA) where: Base-Base interactions energy: -22.873 where: short stacking energy: -21.158 Base-Backbone interact. energy: -1.151 local terms energy: -34.358505 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.998 flat angles C4'-P-C4' energy: -7.540 flat angles P-C4'-P energy: -5.898 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: 3, replica: 9 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -57.758692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.758692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.758692 (E_RNA) where: Base-Base interactions energy: -22.798 where: short stacking energy: -21.810 Base-Backbone interact. energy: -0.053 local terms energy: -34.908236 where: bonds (distance) C4'-P energy: -5.907 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.056 flat angles P-C4'-P energy: -5.982 tors. eta vs tors. theta energy: -5.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -53.313145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.313145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.313145 (E_RNA) where: Base-Base interactions energy: -26.781 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.052 local terms energy: -26.480164 where: bonds (distance) C4'-P energy: -6.883 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -7.161 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -1.259 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: 10 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -58.358331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.358331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.358331 (E_RNA) where: Base-Base interactions energy: -27.368 where: short stacking energy: -27.368 Base-Backbone interact. energy: -0.015 local terms energy: -30.974865 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -5.293 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: 6, replica: 6 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -55.392626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.392626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.392626 (E_RNA) where: Base-Base interactions energy: -31.286 where: short stacking energy: -16.051 Base-Backbone interact. energy: -0.107 local terms energy: -23.999893 where: bonds (distance) C4'-P energy: -8.019 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -3.813 tors. eta vs tors. theta energy: 0.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -44.637026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.637026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.637026 (E_RNA) where: Base-Base interactions energy: -18.930 where: short stacking energy: -18.930 Base-Backbone interact. energy: -0.005 local terms energy: -25.702399 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -4.393 flat angles P-C4'-P energy: -4.685 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: 8, replica: 3 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -59.572299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.572299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.572299 (E_RNA) where: Base-Base interactions energy: -25.890 where: short stacking energy: -25.890 Base-Backbone interact. energy: -0.000 local terms energy: -33.681943 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -7.125 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: 9, replica: 5 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -45.025728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.025728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.025728 (E_RNA) where: Base-Base interactions energy: -17.206 where: short stacking energy: -17.206 Base-Backbone interact. energy: -0.018 local terms energy: -27.801487 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.001 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -5.177 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -38.818970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.818970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.818970 (E_RNA) where: Base-Base interactions energy: -12.384 where: short stacking energy: -12.384 Base-Backbone interact. energy: -0.002 local terms energy: -26.433596 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.973 flat angles P-C4'-P energy: -1.861 tors. eta vs tors. theta energy: -4.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -73.646473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.646473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.646473 (E_RNA) where: Base-Base interactions energy: -34.144 where: short stacking energy: -34.144 Base-Backbone interact. energy: -0.000 local terms energy: -39.502389 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.078 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.518 tors. eta vs tors. theta energy: -9.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -54.479910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.479910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.479910 (E_RNA) where: Base-Base interactions energy: -22.132 where: short stacking energy: -22.132 Base-Backbone interact. energy: -0.028 local terms energy: -32.319221 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.018 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -3.819 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: 9 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -59.939198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.939198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.939198 (E_RNA) where: Base-Base interactions energy: -23.991 where: short stacking energy: -23.991 Base-Backbone interact. energy: -0.000 local terms energy: -35.948208 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -6.133 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: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -69.168210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.168210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.168210 (E_RNA) where: Base-Base interactions energy: -31.123 where: short stacking energy: -30.021 Base-Backbone interact. energy: -0.000 local terms energy: -38.045489 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -6.300 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: 430 Temperature: 1.100000 Total energy: -56.017167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.017167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.017167 (E_RNA) where: Base-Base interactions energy: -25.021 where: short stacking energy: -24.873 Base-Backbone interact. energy: -0.000 local terms energy: -30.995841 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -7.240 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -3.444 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: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -49.120609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.120609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.120609 (E_RNA) where: Base-Base interactions energy: -23.901 where: short stacking energy: -23.901 Base-Backbone interact. energy: -0.001 local terms energy: -25.218677 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -6.021 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.334 tors. eta vs tors. theta energy: -4.275 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: 7, replica: 3 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -49.966607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.966607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.966607 (E_RNA) where: Base-Base interactions energy: -16.262 where: short stacking energy: -16.262 Base-Backbone interact. energy: -0.000 local terms energy: -33.704184 where: bonds (distance) C4'-P energy: -7.120 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.274 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -48.119167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.119167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.119167 (E_RNA) where: Base-Base interactions energy: -17.310 where: short stacking energy: -17.310 Base-Backbone interact. energy: -0.033 local terms energy: -30.775846 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.619 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -0.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -41.949183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.949183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.949183 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.697 Base-Backbone interact. energy: -0.133 local terms energy: -28.015884 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.354 flat angles P-C4'-P energy: -2.991 tors. eta vs tors. theta energy: -2.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -43.325544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.325544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.325544 (E_RNA) where: Base-Base interactions energy: -13.277 where: short stacking energy: -13.277 Base-Backbone interact. energy: -0.052 local terms energy: -29.996393 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -2.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -67.058646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.058646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.058646 (E_RNA) where: Base-Base interactions energy: -34.289 where: short stacking energy: -25.023 Base-Backbone interact. energy: -0.059 local terms energy: -32.711141 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -6.176 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: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -62.249460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.249460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.249460 (E_RNA) where: Base-Base interactions energy: -27.576 where: short stacking energy: -24.901 Base-Backbone interact. energy: -0.000 local terms energy: -34.672993 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -9.599 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: 3, replica: 4 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -60.792200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.792200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.792200 (E_RNA) where: Base-Base interactions energy: -23.710 where: short stacking energy: -22.994 Base-Backbone interact. energy: -0.000 local terms energy: -37.082288 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -7.703 tors. eta vs tors. theta energy: -6.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -59.717542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.717542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.717542 (E_RNA) where: Base-Base interactions energy: -30.849 where: short stacking energy: -23.702 Base-Backbone interact. energy: -0.001 local terms energy: -28.867589 where: bonds (distance) C4'-P energy: -4.335 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.342 flat angles P-C4'-P energy: -1.475 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: 5, replica: 1 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -53.811029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.811029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.811029 (E_RNA) where: Base-Base interactions energy: -22.588 where: short stacking energy: -17.730 Base-Backbone interact. energy: -0.872 local terms energy: -30.350263 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -5.528 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: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -49.600875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.600875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.600875 (E_RNA) where: Base-Base interactions energy: -20.865 where: short stacking energy: -20.865 Base-Backbone interact. energy: -0.066 local terms energy: -28.670467 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -5.060 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: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -44.234630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.234630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.234630 (E_RNA) where: Base-Base interactions energy: -21.700 where: short stacking energy: -10.510 Base-Backbone interact. energy: -0.004 local terms energy: -22.530382 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -5.158 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: 2.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -49.493468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.493468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.493468 (E_RNA) where: Base-Base interactions energy: -18.086 where: short stacking energy: -17.831 Base-Backbone interact. energy: -0.001 local terms energy: -31.407178 where: bonds (distance) C4'-P energy: -5.497 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -5.734 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: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -42.893378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.893378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.893378 (E_RNA) where: Base-Base interactions energy: -19.350 where: short stacking energy: -17.060 Base-Backbone interact. energy: 0.325 local terms energy: -23.868379 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -6.635 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -1.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -39.096053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.096053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.096053 (E_RNA) where: Base-Base interactions energy: -13.052 where: short stacking energy: -10.765 Base-Backbone interact. energy: -0.626 local terms energy: -25.418334 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -4.543 flat angles P-C4'-P energy: -3.427 tors. eta vs tors. theta energy: -1.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -71.678768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.678768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.678768 (E_RNA) where: Base-Base interactions energy: -31.676 where: short stacking energy: -31.676 Base-Backbone interact. energy: -0.000 local terms energy: -40.002631 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.897 flat angles P-C4'-P energy: -5.830 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: 2, replica: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -61.186256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.186256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.186256 (E_RNA) where: Base-Base interactions energy: -24.748 where: short stacking energy: -24.748 Base-Backbone interact. energy: -0.004 local terms energy: -36.433907 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.031 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: 3, replica: 6 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -50.505147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.505147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.505147 (E_RNA) where: Base-Base interactions energy: -22.891 where: short stacking energy: -22.891 Base-Backbone interact. energy: -0.001 local terms energy: -27.613086 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -1.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -54.029398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.029398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.029398 (E_RNA) where: Base-Base interactions energy: -21.246 where: short stacking energy: -18.537 Base-Backbone interact. energy: -0.129 local terms energy: -32.654012 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.483 tors. eta vs tors. theta energy: -2.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -48.884808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.884808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.884808 (E_RNA) where: Base-Base interactions energy: -19.209 where: short stacking energy: -18.100 Base-Backbone interact. energy: -0.000 local terms energy: -29.675869 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.519 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -3.843 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: 1 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -51.022386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.022386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.022386 (E_RNA) where: Base-Base interactions energy: -18.837 where: short stacking energy: -18.837 Base-Backbone interact. energy: 0.955 local terms energy: -33.140916 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -4.897 tors. eta vs tors. theta energy: -3.964 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: 432 Temperature: 1.200000 Total energy: -45.028185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.028185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.028185 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -13.334 Base-Backbone interact. energy: -0.094 local terms energy: -29.480159 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -0.953 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: 8, replica: 10 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -42.981537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.981537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.981537 (E_RNA) where: Base-Base interactions energy: -12.279 where: short stacking energy: -9.982 Base-Backbone interact. energy: -0.064 local terms energy: -30.639277 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -7.064 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: 9, replica: 5 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -42.147772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.147772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.147772 (E_RNA) where: Base-Base interactions energy: -12.991 where: short stacking energy: -12.991 Base-Backbone interact. energy: -0.025 local terms energy: -29.132498 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.825 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -0.871 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: 10, replica: 8 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -47.542151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.542151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.542151 (E_RNA) where: Base-Base interactions energy: -19.725 where: short stacking energy: -19.725 Base-Backbone interact. energy: -0.003 local terms energy: -27.814230 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -2.982 tors. eta vs tors. theta energy: -4.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -74.917087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.917087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.917087 (E_RNA) where: Base-Base interactions energy: -37.158 where: short stacking energy: -29.648 Base-Backbone interact. energy: 0.237 local terms energy: -37.996059 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -6.878 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: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -58.115989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.115989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.115989 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -29.842 Base-Backbone interact. energy: -0.071 local terms energy: -28.203588 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.439 flat angles P-C4'-P energy: -0.645 tors. eta vs tors. theta energy: -5.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -63.644823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.644823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.644823 (E_RNA) where: Base-Base interactions energy: -30.949 where: short stacking energy: -22.181 Base-Backbone interact. energy: -0.010 local terms energy: -32.686201 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -2.288 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: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -55.105106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.105106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.105106 (E_RNA) where: Base-Base interactions energy: -31.417 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.002 local terms energy: -23.686497 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -5.936 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: 0.616 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: 5, replica: 4 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -46.898723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.898723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.898723 (E_RNA) where: Base-Base interactions energy: -17.397 where: short stacking energy: -17.397 Base-Backbone interact. energy: -0.037 local terms energy: -29.464488 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -7.875 flat angles P-C4'-P energy: -2.551 tors. eta vs tors. theta energy: -3.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -54.747164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.747164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.747164 (E_RNA) where: Base-Base interactions energy: -21.668 where: short stacking energy: -18.214 Base-Backbone interact. energy: -0.178 local terms energy: -32.901030 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.116 tors. eta vs tors. theta energy: -5.069 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: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -47.753007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.753007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.753007 (E_RNA) where: Base-Base interactions energy: -17.798 where: short stacking energy: -17.439 Base-Backbone interact. energy: -0.004 local terms energy: -29.951311 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -4.812 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -5.704 tors. eta vs tors. theta energy: -3.623 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: 10 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -46.375010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.375010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.375010 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -20.562 Base-Backbone interact. energy: 0.150 local terms energy: -25.963026 where: bonds (distance) C4'-P energy: -3.096 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -2.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -45.203290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.203290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.203290 (E_RNA) where: Base-Base interactions energy: -18.868 where: short stacking energy: -18.868 Base-Backbone interact. energy: -0.003 local terms energy: -26.332525 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -4.708 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: 8 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -44.499039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.499039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.499039 (E_RNA) where: Base-Base interactions energy: -22.748 where: short stacking energy: -9.381 Base-Backbone interact. energy: -0.025 local terms energy: -21.725495 where: bonds (distance) C4'-P energy: -4.359 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -3.797 tors. eta vs tors. theta energy: 1.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -62.642437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.642437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.642437 (E_RNA) where: Base-Base interactions energy: -27.297 where: short stacking energy: -24.942 Base-Backbone interact. energy: -0.002 local terms energy: -35.342884 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.165 flat angles P-C4'-P energy: -6.163 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: 2 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -68.804058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.804058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.804058 (E_RNA) where: Base-Base interactions energy: -29.106 where: short stacking energy: -29.106 Base-Backbone interact. energy: -0.000 local terms energy: -39.697556 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -9.522 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -10.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -62.669237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.669237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.669237 (E_RNA) where: Base-Base interactions energy: -30.980 where: short stacking energy: -20.367 Base-Backbone interact. energy: -0.142 local terms energy: -31.547279 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.456 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: 4, replica: 6 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -56.969225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.969225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.969225 (E_RNA) where: Base-Base interactions energy: -23.735 where: short stacking energy: -23.735 Base-Backbone interact. energy: -0.000 local terms energy: -33.234267 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -4.831 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: 5, replica: 1 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -53.618545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.618545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.618545 (E_RNA) where: Base-Base interactions energy: -30.147 where: short stacking energy: -22.052 Base-Backbone interact. energy: -0.005 local terms energy: -23.465933 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -0.721 flat angles P-C4'-P energy: -5.259 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: 4 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -58.483859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.483859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.483859 (E_RNA) where: Base-Base interactions energy: -24.780 where: short stacking energy: -24.780 Base-Backbone interact. energy: -0.000 local terms energy: -33.704022 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -3.917 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: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -46.305221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.305221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.305221 (E_RNA) where: Base-Base interactions energy: -18.019 where: short stacking energy: -18.019 Base-Backbone interact. energy: -0.020 local terms energy: -28.266038 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -1.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -41.109182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.109182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.109182 (E_RNA) where: Base-Base interactions energy: -14.070 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.004 local terms energy: -27.034594 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: -0.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -46.074235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.074235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.074235 (E_RNA) where: Base-Base interactions energy: -19.363 where: short stacking energy: -10.107 Base-Backbone interact. energy: -0.031 local terms energy: -26.680506 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -5.961 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -0.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -46.654101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.654101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.654101 (E_RNA) where: Base-Base interactions energy: -18.647 where: short stacking energy: -18.391 Base-Backbone interact. energy: -0.006 local terms energy: -28.001356 where: bonds (distance) C4'-P energy: -5.278 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -5.224 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: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -68.557130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.557130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.557130 (E_RNA) where: Base-Base interactions energy: -33.862 where: short stacking energy: -29.695 Base-Backbone interact. energy: -0.007 local terms energy: -34.687406 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -8.725 flat angles P-C4'-P energy: -4.632 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: 2, replica: 2 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -62.012445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.012445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.012445 (E_RNA) where: Base-Base interactions energy: -26.697 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.001 local terms energy: -35.314199 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -62.531802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.531802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.531802 (E_RNA) where: Base-Base interactions energy: -25.413 where: short stacking energy: -20.921 Base-Backbone interact. energy: -0.085 local terms energy: -37.034021 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -6.728 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: 4, replica: 6 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -56.961044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.961044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.961044 (E_RNA) where: Base-Base interactions energy: -22.581 where: short stacking energy: -21.846 Base-Backbone interact. energy: -0.001 local terms energy: -34.379451 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -4.455 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: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -55.866151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.866151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.866151 (E_RNA) where: Base-Base interactions energy: -20.578 where: short stacking energy: -20.578 Base-Backbone interact. energy: -0.000 local terms energy: -35.287842 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.656 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -4.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -56.457817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.457817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.457817 (E_RNA) where: Base-Base interactions energy: -27.051 where: short stacking energy: -16.682 Base-Backbone interact. energy: -0.183 local terms energy: -29.223667 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.411 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -2.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -53.443873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.443873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.443873 (E_RNA) where: Base-Base interactions energy: -25.933 where: short stacking energy: -19.609 Base-Backbone interact. energy: -0.004 local terms energy: -27.506752 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -0.727 tors. eta vs tors. theta energy: -4.697 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: 8 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -51.588319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.588319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.588319 (E_RNA) where: Base-Base interactions energy: -18.749 where: short stacking energy: -18.749 Base-Backbone interact. energy: -0.001 local terms energy: -32.838984 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -6.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -43.417373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.417373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.417373 (E_RNA) where: Base-Base interactions energy: -14.949 where: short stacking energy: -14.949 Base-Backbone interact. energy: -0.153 local terms energy: -28.315254 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -6.348 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: 10, replica: 5 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -46.867324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.867324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.867324 (E_RNA) where: Base-Base interactions energy: -20.681 where: short stacking energy: -20.681 Base-Backbone interact. energy: -0.113 local terms energy: -26.072869 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.446 flat angles P-C4'-P energy: -1.108 tors. eta vs tors. theta energy: -2.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -69.349248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.349248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.349248 (E_RNA) where: Base-Base interactions energy: -29.353 where: short stacking energy: -29.353 Base-Backbone interact. energy: -0.000 local terms energy: -39.995907 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -6.153 tors. eta vs tors. theta energy: -9.449 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: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -57.790383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.790383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.790383 (E_RNA) where: Base-Base interactions energy: -23.566 where: short stacking energy: -23.566 Base-Backbone interact. energy: -0.413 local terms energy: -33.811783 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.743 flat angles C4'-P-C4' energy: -8.697 flat angles P-C4'-P energy: -4.631 tors. eta vs tors. theta energy: -4.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -49.937097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.937097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.937097 (E_RNA) where: Base-Base interactions energy: -20.173 where: short stacking energy: -18.634 Base-Backbone interact. energy: -0.090 local terms energy: -29.673185 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -3.111 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: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -54.023752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.023752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.023752 (E_RNA) where: Base-Base interactions energy: -23.515 where: short stacking energy: -21.582 Base-Backbone interact. energy: -0.132 local terms energy: -30.376641 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -4.275 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -3.998 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: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -55.440446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.440446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.440446 (E_RNA) where: Base-Base interactions energy: -20.336 where: short stacking energy: -17.987 Base-Backbone interact. energy: -0.047 local terms energy: -35.057423 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -6.703 tors. eta vs tors. theta energy: -5.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -47.958796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.958796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.958796 (E_RNA) where: Base-Base interactions energy: -24.002 where: short stacking energy: -24.002 Base-Backbone interact. energy: -0.024 local terms energy: -23.933154 where: bonds (distance) C4'-P energy: -5.260 bonds (distance) P-C4' energy: -7.277 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -0.185 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -50.045945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.045945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.045945 (E_RNA) where: Base-Base interactions energy: -21.052 where: short stacking energy: -21.052 Base-Backbone interact. energy: -0.023 local terms energy: -28.970959 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -5.252 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: 8, replica: 4 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -47.570797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.570797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.570797 (E_RNA) where: Base-Base interactions energy: -17.212 where: short stacking energy: -16.332 Base-Backbone interact. energy: -0.109 local terms energy: -30.250106 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.204 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -6.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -46.163698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163698 (E_RNA) where: Base-Base interactions energy: -26.447 where: short stacking energy: -15.562 Base-Backbone interact. energy: 0.390 local terms energy: -20.106329 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -4.591 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: 0.483 tors. eta vs tors. theta energy: -1.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -44.464097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.464097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.464097 (E_RNA) where: Base-Base interactions energy: -15.724 where: short stacking energy: -15.724 Base-Backbone interact. energy: -0.053 local terms energy: -28.687347 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -69.722645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.722645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.722645 (E_RNA) where: Base-Base interactions energy: -29.805 where: short stacking energy: -29.805 Base-Backbone interact. energy: -0.000 local terms energy: -39.917245 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -6.062 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: 6 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -65.311218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.311218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.311218 (E_RNA) where: Base-Base interactions energy: -27.190 where: short stacking energy: -27.190 Base-Backbone interact. energy: -0.000 local terms energy: -38.121627 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -5.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -61.992896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.992896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.992896 (E_RNA) where: Base-Base interactions energy: -28.658 where: short stacking energy: -28.658 Base-Backbone interact. energy: -0.068 local terms energy: -33.267234 where: bonds (distance) C4'-P energy: -7.239 bonds (distance) P-C4' energy: -7.550 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.282 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: 4, replica: 7 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -51.951369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.951369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.951369 (E_RNA) where: Base-Base interactions energy: -20.757 where: short stacking energy: -20.665 Base-Backbone interact. energy: -0.001 local terms energy: -31.193949 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -6.314 flat angles P-C4'-P energy: -7.279 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: 5, replica: 3 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -50.860685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.860685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.860685 (E_RNA) where: Base-Base interactions energy: -21.976 where: short stacking energy: -16.815 Base-Backbone interact. energy: -0.041 local terms energy: -28.844046 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -1.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -58.269973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.269973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.269973 (E_RNA) where: Base-Base interactions energy: -25.228 where: short stacking energy: -25.228 Base-Backbone interact. energy: -0.002 local terms energy: -33.040178 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -3.291 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: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -46.980018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.980018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.980018 (E_RNA) where: Base-Base interactions energy: -16.281 where: short stacking energy: -16.281 Base-Backbone interact. energy: -0.020 local terms energy: -30.679658 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -5.865 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: 8, replica: 5 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -46.933816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.933816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.933816 (E_RNA) where: Base-Base interactions energy: -19.465 where: short stacking energy: -19.465 Base-Backbone interact. energy: -0.024 local terms energy: -27.444591 where: bonds (distance) C4'-P energy: -6.106 bonds (distance) P-C4' energy: -5.566 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -44.300947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.300947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.300947 (E_RNA) where: Base-Base interactions energy: -25.216 where: short stacking energy: -10.755 Base-Backbone interact. energy: -0.024 local terms energy: -19.060179 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -3.333 flat angles P-C4'-P energy: -3.063 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: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -38.028500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.028500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.028500 (E_RNA) where: Base-Base interactions energy: -12.864 where: short stacking energy: -12.864 Base-Backbone interact. energy: -0.050 local terms energy: -25.114551 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.446 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -5.127 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -70.193761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.193761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.193761 (E_RNA) where: Base-Base interactions energy: -38.456 where: short stacking energy: -19.866 Base-Backbone interact. energy: -0.010 local terms energy: -31.727943 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -2.822 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: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -65.914933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.914933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.914933 (E_RNA) where: Base-Base interactions energy: -31.466 where: short stacking energy: -23.550 Base-Backbone interact. energy: -0.037 local terms energy: -34.411570 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -5.469 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: 3, replica: 7 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -57.866113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.866113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.866113 (E_RNA) where: Base-Base interactions energy: -23.684 where: short stacking energy: -19.636 Base-Backbone interact. energy: -0.018 local terms energy: -34.164002 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -48.721242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.721242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.721242 (E_RNA) where: Base-Base interactions energy: -20.570 where: short stacking energy: -20.530 Base-Backbone interact. energy: -0.099 local terms energy: -28.052400 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -3.240 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: 5, replica: 8 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -48.428094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.428094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.428094 (E_RNA) where: Base-Base interactions energy: -16.948 where: short stacking energy: -16.207 Base-Backbone interact. energy: -0.002 local terms energy: -31.478779 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -5.635 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: 6, replica: 3 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -49.368171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.368171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.368171 (E_RNA) where: Base-Base interactions energy: -20.922 where: short stacking energy: -17.581 Base-Backbone interact. energy: -0.002 local terms energy: -28.444615 where: bonds (distance) C4'-P energy: -2.596 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -5.240 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: 7, replica: 5 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -49.040296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.040296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.040296 (E_RNA) where: Base-Base interactions energy: -20.329 where: short stacking energy: -13.625 Base-Backbone interact. energy: -0.036 local terms energy: -28.676063 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -1.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -45.094868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.094868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.094868 (E_RNA) where: Base-Base interactions energy: -19.523 where: short stacking energy: -19.523 Base-Backbone interact. energy: -0.000 local terms energy: -25.572098 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -2.958 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -5.076 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: 10 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -44.937466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.937466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.937466 (E_RNA) where: Base-Base interactions energy: -14.744 where: short stacking energy: -14.744 Base-Backbone interact. energy: -0.079 local terms energy: -30.114739 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -4.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -36.094719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.094719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.094719 (E_RNA) where: Base-Base interactions energy: -17.493 where: short stacking energy: -15.462 Base-Backbone interact. energy: -0.042 local terms energy: -18.559616 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -5.999 flat angles P-C4'-P energy: -1.219 tors. eta vs tors. theta energy: -0.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -68.179902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.179902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.179902 (E_RNA) where: Base-Base interactions energy: -36.189 where: short stacking energy: -21.190 Base-Backbone interact. energy: -0.095 local terms energy: -31.895709 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.790 flat angles P-C4'-P energy: -5.726 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: 2, replica: 2 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -59.625131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.625131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.625131 (E_RNA) where: Base-Base interactions energy: -24.852 where: short stacking energy: -24.852 Base-Backbone interact. energy: -0.000 local terms energy: -34.772639 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.799 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -5.925 tors. eta vs tors. theta energy: -8.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -58.400426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.400426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.400426 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -24.375 Base-Backbone interact. energy: 0.234 local terms energy: -34.259540 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.362 flat angles P-C4'-P energy: -2.647 tors. eta vs tors. theta energy: -9.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -55.292683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.292683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.292683 (E_RNA) where: Base-Base interactions energy: -24.323 where: short stacking energy: -24.323 Base-Backbone interact. energy: -0.073 local terms energy: -30.896593 where: bonds (distance) C4'-P energy: -3.957 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -5.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -51.928913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.928913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.928913 (E_RNA) where: Base-Base interactions energy: -21.700 where: short stacking energy: -21.700 Base-Backbone interact. energy: -0.001 local terms energy: -30.227745 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -4.959 flat angles P-C4'-P energy: -4.153 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: 6, replica: 3 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -52.544990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.544990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.544990 (E_RNA) where: Base-Base interactions energy: -19.580 where: short stacking energy: -19.141 Base-Backbone interact. energy: -0.001 local terms energy: -32.963794 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -2.365 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: 5 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -44.821877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.821877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.821877 (E_RNA) where: Base-Base interactions energy: -19.314 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.871 local terms energy: -24.637050 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -3.132 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: 0.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -50.442209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.442209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.442209 (E_RNA) where: Base-Base interactions energy: -16.957 where: short stacking energy: -16.957 Base-Backbone interact. energy: -0.001 local terms energy: -33.484190 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -3.720 flat angles P-C4'-P energy: -6.396 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: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -52.370572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.370572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.370572 (E_RNA) where: Base-Base interactions energy: -19.889 where: short stacking energy: -19.889 Base-Backbone interact. energy: -0.000 local terms energy: -32.481443 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.918 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -41.748524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.748524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.748524 (E_RNA) where: Base-Base interactions energy: -19.007 where: short stacking energy: -19.007 Base-Backbone interact. energy: -0.006 local terms energy: -22.735505 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -2.772 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -1.018 tors. eta vs tors. theta energy: -5.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -57.726918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.726918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.726918 (E_RNA) where: Base-Base interactions energy: -25.297 where: short stacking energy: -25.297 Base-Backbone interact. energy: -0.001 local terms energy: -32.428760 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.938 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -4.173 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: 6 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -62.541912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.541912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.541912 (E_RNA) where: Base-Base interactions energy: -28.371 where: short stacking energy: -28.371 Base-Backbone interact. energy: -0.000 local terms energy: -34.170882 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -7.543 flat angles P-C4'-P energy: -6.179 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: 3, replica: 8 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -60.770483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.770483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.770483 (E_RNA) where: Base-Base interactions energy: -26.343 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.000 local terms energy: -34.427195 where: bonds (distance) C4'-P energy: -4.769 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -8.927 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -7.608 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: 4, replica: 7 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -50.146849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.146849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.146849 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.038 local terms energy: -27.707029 where: bonds (distance) C4'-P energy: -4.367 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.238 tors. eta vs tors. theta energy: -4.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -52.080835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.080835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.080835 (E_RNA) where: Base-Base interactions energy: -24.336 where: short stacking energy: -16.331 Base-Backbone interact. energy: -0.014 local terms energy: -27.730569 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -4.083 tors. eta vs tors. theta energy: -1.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -45.721980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.721980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.721980 (E_RNA) where: Base-Base interactions energy: -13.487 where: short stacking energy: -12.041 Base-Backbone interact. energy: -0.434 local terms energy: -31.801205 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.532 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -51.082871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.082871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.082871 (E_RNA) where: Base-Base interactions energy: -21.809 where: short stacking energy: -12.593 Base-Backbone interact. energy: -0.391 local terms energy: -28.882521 where: bonds (distance) C4'-P energy: -4.860 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.523 flat angles P-C4'-P energy: -4.400 tors. eta vs tors. theta energy: -4.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -60.635760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.635760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.635760 (E_RNA) where: Base-Base interactions energy: -36.096 where: short stacking energy: -12.520 Base-Backbone interact. energy: 2.402 local terms energy: -26.942540 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -5.492 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.320 tors. eta vs tors. theta energy: -3.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -40.171329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.171329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.171329 (E_RNA) where: Base-Base interactions energy: -9.158 where: short stacking energy: -9.158 Base-Backbone interact. energy: -0.018 local terms energy: -30.994676 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -1.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -44.865682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.865682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.865682 (E_RNA) where: Base-Base interactions energy: -18.566 where: short stacking energy: -18.566 Base-Backbone interact. energy: -0.002 local terms energy: -26.297417 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -2.790 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -3.745 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: 1, replica: 2 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -68.145222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.145222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.145222 (E_RNA) where: Base-Base interactions energy: -30.240 where: short stacking energy: -24.328 Base-Backbone interact. energy: -0.018 local terms energy: -37.886974 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -5.640 tors. eta vs tors. theta energy: -6.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -69.598979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.598979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.598979 (E_RNA) where: Base-Base interactions energy: -30.827 where: short stacking energy: -30.411 Base-Backbone interact. energy: -0.000 local terms energy: -38.772061 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -9.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -65.561677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.561677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.561677 (E_RNA) where: Base-Base interactions energy: -33.310 where: short stacking energy: -27.129 Base-Backbone interact. energy: -2.916 local terms energy: -29.335753 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -4.323 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: 7 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -49.681978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.681978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.681978 (E_RNA) where: Base-Base interactions energy: -20.428 where: short stacking energy: -20.428 Base-Backbone interact. energy: -0.070 local terms energy: -29.183567 where: bonds (distance) C4'-P energy: -5.956 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.830 flat angles P-C4'-P energy: -4.435 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: 5, replica: 3 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -50.138288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.138288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.138288 (E_RNA) where: Base-Base interactions energy: -19.578 where: short stacking energy: -19.578 Base-Backbone interact. energy: -0.031 local terms energy: -30.529044 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -2.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -49.283715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283715 (E_RNA) where: Base-Base interactions energy: -18.029 where: short stacking energy: -18.029 Base-Backbone interact. energy: -0.053 local terms energy: -31.202372 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.612 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -5.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -47.161752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.161752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.161752 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.146 local terms energy: -30.659819 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.030 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: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -50.394844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.394844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.394844 (E_RNA) where: Base-Base interactions energy: -20.292 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.028 local terms energy: -30.075481 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -1.544 tors. eta vs tors. theta energy: -5.000 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: 5 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -38.843465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.843465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.843465 (E_RNA) where: Base-Base interactions energy: -17.988 where: short stacking energy: -17.988 Base-Backbone interact. energy: 0.067 local terms energy: -20.922230 where: bonds (distance) C4'-P energy: -4.209 bonds (distance) P-C4' energy: -5.575 flat angles C4'-P-C4' energy: -7.353 flat angles P-C4'-P energy: -0.686 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -42.328856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.328856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.328856 (E_RNA) where: Base-Base interactions energy: -13.253 where: short stacking energy: -6.094 Base-Backbone interact. energy: -0.027 local terms energy: -29.049425 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.212 flat angles P-C4'-P energy: -6.734 tors. eta vs tors. theta energy: -0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -68.098869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.098869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.098869 (E_RNA) where: Base-Base interactions energy: -27.575 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.000 local terms energy: -40.523369 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -59.607016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.607016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.607016 (E_RNA) where: Base-Base interactions energy: -28.059 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.069 local terms energy: -31.479136 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -2.201 tors. eta vs tors. theta energy: -3.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -58.970513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.970513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.970513 (E_RNA) where: Base-Base interactions energy: -30.732 where: short stacking energy: -17.717 Base-Backbone interact. energy: -0.101 local terms energy: -28.137437 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -2.680 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -4.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -59.839189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.839189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.839189 (E_RNA) where: Base-Base interactions energy: -28.525 where: short stacking energy: -15.787 Base-Backbone interact. energy: -0.026 local terms energy: -31.288013 where: bonds (distance) C4'-P energy: -7.095 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -7.460 tors. eta vs tors. theta energy: -1.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -57.508153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.508153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.508153 (E_RNA) where: Base-Base interactions energy: -21.212 where: short stacking energy: -21.212 Base-Backbone interact. energy: -0.000 local terms energy: -36.295876 where: bonds (distance) C4'-P energy: -8.272 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -6.217 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: 6, replica: 3 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -65.311167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.311167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.311167 (E_RNA) where: Base-Base interactions energy: -38.637 where: short stacking energy: -23.164 Base-Backbone interact. energy: -0.112 local terms energy: -26.561765 where: bonds (distance) C4'-P energy: -7.123 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -1.998 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -6.136 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: 4 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -44.924990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.924990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.924990 (E_RNA) where: Base-Base interactions energy: -13.940 where: short stacking energy: -13.940 Base-Backbone interact. energy: -0.012 local terms energy: -30.973297 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: 0.395 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: 8, replica: 9 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -45.298680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.298680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.298680 (E_RNA) where: Base-Base interactions energy: -17.726 where: short stacking energy: -17.726 Base-Backbone interact. energy: -0.039 local terms energy: -27.533939 where: bonds (distance) C4'-P energy: -7.182 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -3.575 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: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -45.107980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.107980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.107980 (E_RNA) where: Base-Base interactions energy: -16.575 where: short stacking energy: -16.575 Base-Backbone interact. energy: -0.082 local terms energy: -28.451103 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -2.632 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: 10, replica: 5 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -41.673206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.673206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.673206 (E_RNA) where: Base-Base interactions energy: -13.529 where: short stacking energy: -13.529 Base-Backbone interact. energy: -0.001 local terms energy: -28.143341 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -0.626 tors. eta vs tors. theta energy: -2.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -61.631954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.631954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.631954 (E_RNA) where: Base-Base interactions energy: -27.980 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.000 local terms energy: -33.652200 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -5.948 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -60.633669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.633669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.633669 (E_RNA) where: Base-Base interactions energy: -24.349 where: short stacking energy: -24.349 Base-Backbone interact. energy: -0.058 local terms energy: -36.226620 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.469 flat angles P-C4'-P energy: -2.852 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: 3, replica: 7 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -62.102497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.102497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.102497 (E_RNA) where: Base-Base interactions energy: -26.776 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.092 local terms energy: -35.235076 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -7.391 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: 4, replica: 10 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -61.659336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.659336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.659336 (E_RNA) where: Base-Base interactions energy: -26.616 where: short stacking energy: -26.616 Base-Backbone interact. energy: -0.100 local terms energy: -34.942848 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -4.316 tors. eta vs tors. theta energy: -5.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -49.352763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.352763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.352763 (E_RNA) where: Base-Base interactions energy: -21.456 where: short stacking energy: -21.456 Base-Backbone interact. energy: -0.006 local terms energy: -27.890231 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -4.315 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -4.808 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -56.935598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.935598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.935598 (E_RNA) where: Base-Base interactions energy: -23.336 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.000 local terms energy: -33.599036 where: bonds (distance) C4'-P energy: -6.437 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -6.113 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: 7, replica: 3 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -55.116978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.116978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.116978 (E_RNA) where: Base-Base interactions energy: -23.151 where: short stacking energy: -19.663 Base-Backbone interact. energy: -0.599 local terms energy: -31.367866 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -4.408 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: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -48.785775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.785775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.785775 (E_RNA) where: Base-Base interactions energy: -20.223 where: short stacking energy: -20.223 Base-Backbone interact. energy: -0.015 local terms energy: -28.548520 where: bonds (distance) C4'-P energy: -3.614 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -5.728 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: 9 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -49.877446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.877446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.877446 (E_RNA) where: Base-Base interactions energy: -16.052 where: short stacking energy: -10.351 Base-Backbone interact. energy: -0.016 local terms energy: -33.809032 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.759 flat angles P-C4'-P energy: -5.433 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: 10, replica: 5 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -45.860821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.860821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.860821 (E_RNA) where: Base-Base interactions energy: -19.112 where: short stacking energy: -15.905 Base-Backbone interact. energy: -0.390 local terms energy: -26.358636 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -4.639 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -3.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -61.611049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.611049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.611049 (E_RNA) where: Base-Base interactions energy: -22.324 where: short stacking energy: -22.324 Base-Backbone interact. energy: -0.001 local terms energy: -39.286843 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -6.679 tors. eta vs tors. theta energy: -7.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -65.262560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.262560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.262560 (E_RNA) where: Base-Base interactions energy: -26.813 where: short stacking energy: -26.813 Base-Backbone interact. energy: -0.014 local terms energy: -38.435302 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -5.711 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: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -62.780938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.780938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.780938 (E_RNA) where: Base-Base interactions energy: -28.761 where: short stacking energy: -26.335 Base-Backbone interact. energy: -0.000 local terms energy: -34.019907 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.588 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: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -63.784203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.784203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.784203 (E_RNA) where: Base-Base interactions energy: -27.783 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.454 local terms energy: -35.547043 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -6.630 tors. eta vs tors. theta energy: -6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -53.063547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.063547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.063547 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -22.854 Base-Backbone interact. energy: -0.001 local terms energy: -30.208298 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.111 flat angles P-C4'-P energy: -4.693 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: 6, replica: 8 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -50.441845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.441845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.441845 (E_RNA) where: Base-Base interactions energy: -19.612 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.004 local terms energy: -30.825840 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -3.589 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -3.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -50.845178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.845178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.845178 (E_RNA) where: Base-Base interactions energy: -20.263 where: short stacking energy: -20.263 Base-Backbone interact. energy: 0.013 local terms energy: -30.594694 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -3.592 flat angles P-C4'-P energy: -5.996 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: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -42.375050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.375050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.375050 (E_RNA) where: Base-Base interactions energy: -17.018 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.096 local terms energy: -25.261369 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.333 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -5.120 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -51.096407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.096407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.096407 (E_RNA) where: Base-Base interactions energy: -19.714 where: short stacking energy: -16.019 Base-Backbone interact. energy: -0.012 local terms energy: -31.370834 where: bonds (distance) C4'-P energy: -8.167 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -3.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -43.275290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.275290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.275290 (E_RNA) where: Base-Base interactions energy: -22.087 where: short stacking energy: -12.998 Base-Backbone interact. energy: -0.031 local terms energy: -21.156751 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.281 flat angles P-C4'-P energy: -2.151 tors. eta vs tors. theta energy: -1.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -68.225828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.225828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.225828 (E_RNA) where: Base-Base interactions energy: -29.883 where: short stacking energy: -29.883 Base-Backbone interact. energy: -0.000 local terms energy: -38.342546 where: bonds (distance) C4'-P energy: -6.803 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -6.583 tors. eta vs tors. theta energy: -9.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -61.041765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.041765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.041765 (E_RNA) where: Base-Base interactions energy: -27.491 where: short stacking energy: -27.491 Base-Backbone interact. energy: -0.002 local terms energy: -33.549180 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -5.688 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: 3, replica: 6 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -58.837806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.837806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.837806 (E_RNA) where: Base-Base interactions energy: -26.919 where: short stacking energy: -24.101 Base-Backbone interact. energy: -0.057 local terms energy: -31.861397 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -6.865 flat angles P-C4'-P energy: -3.578 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: 4, replica: 4 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -56.870227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.870227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.870227 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -16.748 Base-Backbone interact. energy: -0.003 local terms energy: -32.824833 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -3.602 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: 5, replica: 7 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -69.407758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.407758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.407758 (E_RNA) where: Base-Base interactions energy: -37.650 where: short stacking energy: -19.341 Base-Backbone interact. energy: -0.002 local terms energy: -31.755521 where: bonds (distance) C4'-P energy: -7.306 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -4.804 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -55.084530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.084530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.084530 (E_RNA) where: Base-Base interactions energy: -27.249 where: short stacking energy: -13.189 Base-Backbone interact. energy: -0.030 local terms energy: -27.805393 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -1.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -56.451287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.451287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.451287 (E_RNA) where: Base-Base interactions energy: -26.277 where: short stacking energy: -21.958 Base-Backbone interact. energy: -0.099 local terms energy: -30.075286 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -6.009 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -5.839 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: 8, replica: 9 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -45.472493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.472493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.472493 (E_RNA) where: Base-Base interactions energy: -21.620 where: short stacking energy: -11.959 Base-Backbone interact. energy: -0.188 local terms energy: -23.664503 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -5.690 flat angles C4'-P-C4' energy: -7.886 flat angles P-C4'-P energy: -5.476 tors. eta vs tors. theta energy: 1.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -42.801544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.801544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.801544 (E_RNA) where: Base-Base interactions energy: -16.184 where: short stacking energy: -10.651 Base-Backbone interact. energy: -1.209 local terms energy: -25.408282 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -0.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -48.383338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.383338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.383338 (E_RNA) where: Base-Base interactions energy: -24.123 where: short stacking energy: -16.791 Base-Backbone interact. energy: -0.009 local terms energy: -24.251004 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.329 flat angles P-C4'-P energy: -5.014 tors. eta vs tors. theta energy: -0.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -64.042889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.042889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.042889 (E_RNA) where: Base-Base interactions energy: -36.364 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.042 local terms energy: -27.636918 where: bonds (distance) C4'-P energy: -4.685 bonds (distance) P-C4' energy: -6.883 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -4.524 tors. eta vs tors. theta energy: -4.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -63.604067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.604067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.604067 (E_RNA) where: Base-Base interactions energy: -29.486 where: short stacking energy: -29.486 Base-Backbone interact. energy: -0.006 local terms energy: -34.111559 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -4.559 tors. eta vs tors. theta energy: -6.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -62.754824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.754824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.754824 (E_RNA) where: Base-Base interactions energy: -27.862 where: short stacking energy: -27.862 Base-Backbone interact. energy: -0.000 local terms energy: -34.892691 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -56.552720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.552720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.552720 (E_RNA) where: Base-Base interactions energy: -21.805 where: short stacking energy: -20.859 Base-Backbone interact. energy: -0.120 local terms energy: -34.628338 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -4.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -56.678329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.678329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.678329 (E_RNA) where: Base-Base interactions energy: -28.056 where: short stacking energy: -6.543 Base-Backbone interact. energy: -0.072 local terms energy: -28.550093 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -1.805 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -2.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -50.659954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.659954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.659954 (E_RNA) where: Base-Base interactions energy: -22.710 where: short stacking energy: -22.710 Base-Backbone interact. energy: -0.000 local terms energy: -27.949771 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -7.558 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -2.309 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: 7, replica: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -46.105063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.105063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.105063 (E_RNA) where: Base-Base interactions energy: -16.798 where: short stacking energy: -16.798 Base-Backbone interact. energy: -0.000 local terms energy: -29.306831 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -4.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -44.552953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.552953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.552953 (E_RNA) where: Base-Base interactions energy: -16.732 where: short stacking energy: -13.775 Base-Backbone interact. energy: -0.351 local terms energy: -27.470386 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -4.662 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -44.917525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.917525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.917525 (E_RNA) where: Base-Base interactions energy: -18.314 where: short stacking energy: -18.314 Base-Backbone interact. energy: -0.006 local terms energy: -26.598038 where: bonds (distance) C4'-P energy: -5.604 bonds (distance) P-C4' energy: -4.333 flat angles C4'-P-C4' energy: -8.923 flat angles P-C4'-P energy: -6.349 tors. eta vs tors. theta energy: -1.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -50.655566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.655566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.655566 (E_RNA) where: Base-Base interactions energy: -26.920 where: short stacking energy: -15.006 Base-Backbone interact. energy: -0.005 local terms energy: -23.730471 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -5.095 flat angles P-C4'-P energy: -3.623 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: 1, replica: 10 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -61.936385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.936385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.936385 (E_RNA) where: Base-Base interactions energy: -30.243 where: short stacking energy: -30.243 Base-Backbone interact. energy: -0.005 local terms energy: -31.688674 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -5.815 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.005 tors. eta vs tors. theta energy: -6.604 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: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -66.932663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.932663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.932663 (E_RNA) where: Base-Base interactions energy: -32.563 where: short stacking energy: -24.281 Base-Backbone interact. energy: -0.009 local terms energy: -34.360087 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -5.777 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: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -53.880466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.880466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.880466 (E_RNA) where: Base-Base interactions energy: -25.841 where: short stacking energy: -25.841 Base-Backbone interact. energy: -0.099 local terms energy: -27.939925 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -2.884 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: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -48.318090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.318090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.318090 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.058 local terms energy: -28.188157 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.339 flat angles P-C4'-P energy: -4.503 tors. eta vs tors. theta energy: -3.949 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -54.619421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.619421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.619421 (E_RNA) where: Base-Base interactions energy: -24.819 where: short stacking energy: -24.819 Base-Backbone interact. energy: -0.007 local terms energy: -29.793801 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -4.825 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -4.820 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: 6, replica: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -56.202169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.202169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.202169 (E_RNA) where: Base-Base interactions energy: -27.602 where: short stacking energy: -8.150 Base-Backbone interact. energy: -0.140 local terms energy: -28.459700 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -1.450 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: 7 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -48.625658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.625658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.625658 (E_RNA) where: Base-Base interactions energy: -15.578 where: short stacking energy: -14.592 Base-Backbone interact. energy: -0.001 local terms energy: -33.046467 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.711 flat angles P-C4'-P energy: -6.331 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: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -46.988282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.988282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.988282 (E_RNA) where: Base-Base interactions energy: -19.714 where: short stacking energy: -19.714 Base-Backbone interact. energy: -0.112 local terms energy: -27.162409 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -5.738 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -3.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -41.342512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.342512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.342512 (E_RNA) where: Base-Base interactions energy: -13.937 where: short stacking energy: -13.937 Base-Backbone interact. energy: -0.078 local terms energy: -27.328278 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.144 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -2.585 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: 10, replica: 3 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -45.407853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.407853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.407853 (E_RNA) where: Base-Base interactions energy: -18.187 where: short stacking energy: -18.187 Base-Backbone interact. energy: -0.001 local terms energy: -27.219136 where: bonds (distance) C4'-P energy: -4.351 bonds (distance) P-C4' energy: -6.350 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -6.210 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: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -60.279941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.279941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.279941 (E_RNA) where: Base-Base interactions energy: -25.731 where: short stacking energy: -25.731 Base-Backbone interact. energy: -0.001 local terms energy: -34.548035 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.705 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: 2, replica: 10 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -62.452461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.452461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.452461 (E_RNA) where: Base-Base interactions energy: -33.531 where: short stacking energy: -27.241 Base-Backbone interact. energy: -0.056 local terms energy: -28.865867 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -4.559 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: 3, replica: 1 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -64.183483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.183483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.183483 (E_RNA) where: Base-Base interactions energy: -26.675 where: short stacking energy: -26.675 Base-Backbone interact. energy: -0.075 local terms energy: -37.432997 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -54.717750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.717750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.717750 (E_RNA) where: Base-Base interactions energy: -24.051 where: short stacking energy: -24.051 Base-Backbone interact. energy: -0.100 local terms energy: -30.567484 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -4.363 flat angles C4'-P-C4' energy: -9.126 flat angles P-C4'-P energy: -5.192 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: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -60.187379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.187379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.187379 (E_RNA) where: Base-Base interactions energy: -28.867 where: short stacking energy: -19.370 Base-Backbone interact. energy: -0.000 local terms energy: -31.320641 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.667 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: 6, replica: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -55.895060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.895060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.895060 (E_RNA) where: Base-Base interactions energy: -23.917 where: short stacking energy: -19.519 Base-Backbone interact. energy: 1.949 local terms energy: -33.926842 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.717 flat angles P-C4'-P energy: -6.171 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: 7, replica: 5 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -42.854305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.854305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.854305 (E_RNA) where: Base-Base interactions energy: -15.110 where: short stacking energy: -13.852 Base-Backbone interact. energy: -1.067 local terms energy: -26.677005 where: bonds (distance) C4'-P energy: -4.364 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -4.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -47.188897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.188897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.188897 (E_RNA) where: Base-Base interactions energy: -13.988 where: short stacking energy: -13.988 Base-Backbone interact. energy: -0.000 local terms energy: -33.200416 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -6.823 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: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -42.771945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.771945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.771945 (E_RNA) where: Base-Base interactions energy: -10.563 where: short stacking energy: -9.151 Base-Backbone interact. energy: -0.001 local terms energy: -32.208639 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.735 flat angles P-C4'-P energy: -3.693 tors. eta vs tors. theta energy: -3.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -43.050626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.050626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.050626 (E_RNA) where: Base-Base interactions energy: -17.854 where: short stacking energy: -12.724 Base-Backbone interact. energy: -0.032 local terms energy: -25.164846 where: bonds (distance) C4'-P energy: -4.847 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: 2.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -70.431580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.431580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.431580 (E_RNA) where: Base-Base interactions energy: -36.282 where: short stacking energy: -26.637 Base-Backbone interact. energy: -0.013 local terms energy: -34.136426 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -5.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -68.008482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.008482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.008482 (E_RNA) where: Base-Base interactions energy: -30.567 where: short stacking energy: -30.059 Base-Backbone interact. energy: -0.000 local terms energy: -37.441041 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -6.126 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: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -65.950408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.950408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.950408 (E_RNA) where: Base-Base interactions energy: -39.212 where: short stacking energy: -22.942 Base-Backbone interact. energy: -0.020 local terms energy: -26.717915 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.416 tors. eta vs tors. theta energy: -5.027 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: 449 Temperature: 1.050000 Total energy: -59.718956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.718956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.718956 (E_RNA) where: Base-Base interactions energy: -26.412 where: short stacking energy: -26.412 Base-Backbone interact. energy: -0.004 local terms energy: -33.303482 where: bonds (distance) C4'-P energy: -5.200 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -6.902 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: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -49.768139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.768139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.768139 (E_RNA) where: Base-Base interactions energy: -19.380 where: short stacking energy: -19.380 Base-Backbone interact. energy: -0.067 local terms energy: -30.321734 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -4.234 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: 6, replica: 5 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -55.726232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.726232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.726232 (E_RNA) where: Base-Base interactions energy: -21.869 where: short stacking energy: -19.168 Base-Backbone interact. energy: -0.069 local terms energy: -33.788309 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: -6.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -52.295743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.295743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.295743 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -18.683 Base-Backbone interact. energy: -0.009 local terms energy: -29.503780 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -2.995 tors. eta vs tors. theta energy: -4.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -50.988654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.988654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.988654 (E_RNA) where: Base-Base interactions energy: -19.537 where: short stacking energy: -19.537 Base-Backbone interact. energy: -0.000 local terms energy: -31.451560 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -4.370 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -45.889743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.889743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.889743 (E_RNA) where: Base-Base interactions energy: -24.533 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.540 local terms energy: -20.815835 where: bonds (distance) C4'-P energy: -1.259 bonds (distance) P-C4' energy: -8.908 flat angles C4'-P-C4' energy: -5.539 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: 0.723 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: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -35.426095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.426095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.426095 (E_RNA) where: Base-Base interactions energy: -8.203 where: short stacking energy: -8.203 Base-Backbone interact. energy: -0.005 local terms energy: -27.218986 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.665 tors. eta vs tors. theta energy: -1.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -78.965528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.965528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.965528 (E_RNA) where: Base-Base interactions energy: -45.236 where: short stacking energy: -31.726 Base-Backbone interact. energy: -0.001 local terms energy: -33.728452 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -7.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -62.395485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.395485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.395485 (E_RNA) where: Base-Base interactions energy: -27.041 where: short stacking energy: -25.307 Base-Backbone interact. energy: -0.000 local terms energy: -35.354597 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -3.893 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: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -63.570537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.570537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.570537 (E_RNA) where: Base-Base interactions energy: -31.178 where: short stacking energy: -22.340 Base-Backbone interact. energy: -0.083 local terms energy: -32.310314 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -59.872669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.872669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.872669 (E_RNA) where: Base-Base interactions energy: -29.320 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.004 local terms energy: -30.549623 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -5.817 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: 5, replica: 4 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -55.181802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.181802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.181802 (E_RNA) where: Base-Base interactions energy: -25.525 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.052 local terms energy: -29.605048 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.632 flat angles P-C4'-P energy: -6.831 tors. eta vs tors. theta energy: -0.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -50.944279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.944279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.944279 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -21.727 Base-Backbone interact. energy: -0.068 local terms energy: -29.149705 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.098 flat angles P-C4'-P energy: -5.287 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: 7, replica: 3 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -43.956409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.956409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.956409 (E_RNA) where: Base-Base interactions energy: -20.669 where: short stacking energy: -20.669 Base-Backbone interact. energy: -0.014 local terms energy: -23.274158 where: bonds (distance) C4'-P energy: -3.452 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -3.821 flat angles P-C4'-P energy: -1.570 tors. eta vs tors. theta energy: -5.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -40.914457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.914457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.914457 (E_RNA) where: Base-Base interactions energy: -14.029 where: short stacking energy: -14.029 Base-Backbone interact. energy: -0.102 local terms energy: -26.783424 where: bonds (distance) C4'-P energy: -1.977 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -5.581 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: 9, replica: 8 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -48.776894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.776894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.776894 (E_RNA) where: Base-Base interactions energy: -22.832 where: short stacking energy: -22.832 Base-Backbone interact. energy: -0.114 local terms energy: -25.831191 where: bonds (distance) C4'-P energy: -6.413 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -4.023 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -41.610898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.610898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.610898 (E_RNA) where: Base-Base interactions energy: -13.207 where: short stacking energy: -13.207 Base-Backbone interact. energy: -0.001 local terms energy: -28.402245 where: bonds (distance) C4'-P energy: -7.005 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -2.928 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: 1, replica: 2 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -86.594334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.594334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.594334 (E_RNA) where: Base-Base interactions energy: -49.414 where: short stacking energy: -32.928 Base-Backbone interact. energy: -0.003 local terms energy: -37.177253 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -70.034645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.034645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.034645 (E_RNA) where: Base-Base interactions energy: -41.030 where: short stacking energy: -14.644 Base-Backbone interact. energy: 0.736 local terms energy: -29.740648 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.295 flat angles P-C4'-P energy: -4.047 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -54.280031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.280031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.280031 (E_RNA) where: Base-Base interactions energy: -20.654 where: short stacking energy: -20.654 Base-Backbone interact. energy: -0.057 local terms energy: -33.569638 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.641 tors. eta vs tors. theta energy: -5.448 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: 451 Temperature: 1.050000 Total energy: -53.375462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.375462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.375462 (E_RNA) where: Base-Base interactions energy: -21.044 where: short stacking energy: -21.044 Base-Backbone interact. energy: -0.202 local terms energy: -32.128724 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -6.707 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -5.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -53.669270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.669270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.669270 (E_RNA) where: Base-Base interactions energy: -26.929 where: short stacking energy: -11.792 Base-Backbone interact. energy: -0.107 local terms energy: -26.632804 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -5.353 flat angles P-C4'-P energy: -5.334 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: 6, replica: 3 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -43.348873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.348873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.348873 (E_RNA) where: Base-Base interactions energy: -14.215 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.003 local terms energy: -29.130168 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -5.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -46.489385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489385 (E_RNA) where: Base-Base interactions energy: -17.430 where: short stacking energy: -9.488 Base-Backbone interact. energy: -0.145 local terms energy: -28.914443 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.475 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -0.147 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: 8 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -47.590538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.590538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.590538 (E_RNA) where: Base-Base interactions energy: -16.789 where: short stacking energy: -13.590 Base-Backbone interact. energy: -0.273 local terms energy: -30.528069 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -9.567 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -2.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -39.250058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.250058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.250058 (E_RNA) where: Base-Base interactions energy: -16.567 where: short stacking energy: -8.189 Base-Backbone interact. energy: -0.103 local terms energy: -22.579723 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -0.388 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -40.968936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.968936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.968936 (E_RNA) where: Base-Base interactions energy: -10.777 where: short stacking energy: -10.119 Base-Backbone interact. energy: -0.068 local terms energy: -30.124512 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.267 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: 0.370 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: 2 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -79.453944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.453944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.453944 (E_RNA) where: Base-Base interactions energy: -44.162 where: short stacking energy: -29.732 Base-Backbone interact. energy: -0.000 local terms energy: -35.291788 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -6.173 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: 2, replica: 9 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -59.598319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.598319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.598319 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.000 local terms energy: -36.927388 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -6.956 tors. eta vs tors. theta energy: -6.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -58.464220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.464220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.464220 (E_RNA) where: Base-Base interactions energy: -24.358 where: short stacking energy: -24.358 Base-Backbone interact. energy: -0.009 local terms energy: -34.097630 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -5.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -51.401149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.401149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.401149 (E_RNA) where: Base-Base interactions energy: -19.970 where: short stacking energy: -16.949 Base-Backbone interact. energy: -0.171 local terms energy: -31.260291 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.436 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: -2.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -51.543221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.543221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.543221 (E_RNA) where: Base-Base interactions energy: -22.211 where: short stacking energy: -22.211 Base-Backbone interact. energy: -0.027 local terms energy: -29.304560 where: bonds (distance) C4'-P energy: -4.596 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -6.805 flat angles P-C4'-P energy: -6.443 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: 6, replica: 10 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -53.416657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.416657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.416657 (E_RNA) where: Base-Base interactions energy: -25.246 where: short stacking energy: -25.246 Base-Backbone interact. energy: -0.000 local terms energy: -28.170414 where: bonds (distance) C4'-P energy: -4.425 bonds (distance) P-C4' energy: -4.694 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -4.534 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: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -47.377638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.377638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.377638 (E_RNA) where: Base-Base interactions energy: -19.133 where: short stacking energy: -19.123 Base-Backbone interact. energy: -0.395 local terms energy: -27.849902 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -5.642 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: 8, replica: 8 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -47.643526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.643526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.643526 (E_RNA) where: Base-Base interactions energy: -28.151 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.012 local terms energy: -19.480954 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -2.945 flat angles P-C4'-P energy: -0.372 tors. eta vs tors. theta energy: -4.031 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: 7 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -46.430574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.430574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.430574 (E_RNA) where: Base-Base interactions energy: -15.637 where: short stacking energy: -14.928 Base-Backbone interact. energy: -0.006 local terms energy: -30.787579 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -5.095 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: 10, replica: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -41.261755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.261755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.261755 (E_RNA) where: Base-Base interactions energy: -14.339 where: short stacking energy: -14.339 Base-Backbone interact. energy: -0.338 local terms energy: -26.584740 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -4.306 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: 1, replica: 2 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -77.550041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.550041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.550041 (E_RNA) where: Base-Base interactions energy: -41.611 where: short stacking energy: -28.485 Base-Backbone interact. energy: -0.001 local terms energy: -35.937999 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.313 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -6.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -65.739698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.739698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.739698 (E_RNA) where: Base-Base interactions energy: -34.804 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.005 local terms energy: -30.930990 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.901 flat angles P-C4'-P energy: -3.349 tors. eta vs tors. theta energy: -4.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -62.434062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.434062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.434062 (E_RNA) where: Base-Base interactions energy: -24.865 where: short stacking energy: -24.865 Base-Backbone interact. energy: -0.001 local terms energy: -37.568886 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.031 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: 453 Temperature: 1.050000 Total energy: -52.835835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.835835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.835835 (E_RNA) where: Base-Base interactions energy: -27.515 where: short stacking energy: -27.515 Base-Backbone interact. energy: -0.004 local terms energy: -25.316887 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -4.301 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -3.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -48.512325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.512325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.512325 (E_RNA) where: Base-Base interactions energy: -18.195 where: short stacking energy: -13.318 Base-Backbone interact. energy: -0.000 local terms energy: -30.317547 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -2.351 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: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -55.379468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.379468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.379468 (E_RNA) where: Base-Base interactions energy: -24.804 where: short stacking energy: -24.804 Base-Backbone interact. energy: -0.001 local terms energy: -30.574772 where: bonds (distance) C4'-P energy: -5.260 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -3.859 tors. eta vs tors. theta energy: -6.196 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: 10 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -43.705284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.705284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.705284 (E_RNA) where: Base-Base interactions energy: -14.056 where: short stacking energy: -14.056 Base-Backbone interact. energy: -0.039 local terms energy: -29.610201 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -48.080524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.080524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.080524 (E_RNA) where: Base-Base interactions energy: -18.714 where: short stacking energy: -18.714 Base-Backbone interact. energy: -0.361 local terms energy: -29.005856 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -2.992 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: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -44.642957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.642957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.642957 (E_RNA) where: Base-Base interactions energy: -21.989 where: short stacking energy: -21.989 Base-Backbone interact. energy: -0.094 local terms energy: -22.559237 where: bonds (distance) C4'-P energy: -3.978 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -2.653 flat angles P-C4'-P energy: -1.761 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: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -44.267679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.267679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.267679 (E_RNA) where: Base-Base interactions energy: -14.332 where: short stacking energy: -14.236 Base-Backbone interact. energy: -0.002 local terms energy: -29.933330 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -5.658 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: 1, replica: 9 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -77.190487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.190487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.190487 (E_RNA) where: Base-Base interactions energy: -43.083 where: short stacking energy: -24.862 Base-Backbone interact. energy: -0.000 local terms energy: -34.106770 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -6.596 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: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -65.855642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.855642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.855642 (E_RNA) where: Base-Base interactions energy: -30.541 where: short stacking energy: -30.541 Base-Backbone interact. energy: -0.000 local terms energy: -35.314277 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -2.133 tors. eta vs tors. theta energy: -10.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -61.654390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.654390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.654390 (E_RNA) where: Base-Base interactions energy: -26.718 where: short stacking energy: -26.718 Base-Backbone interact. energy: -0.000 local terms energy: -34.936345 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -2.867 tors. eta vs tors. theta energy: -9.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -49.208990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.208990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.208990 (E_RNA) where: Base-Base interactions energy: -16.778 where: short stacking energy: -15.180 Base-Backbone interact. energy: -0.089 local terms energy: -32.342126 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -4.330 tors. eta vs tors. theta energy: -4.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -55.051668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.051668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.051668 (E_RNA) where: Base-Base interactions energy: -22.958 where: short stacking energy: -22.958 Base-Backbone interact. energy: -0.018 local terms energy: -32.076081 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -3.069 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -45.882054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882054 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -8.057 Base-Backbone interact. energy: -0.008 local terms energy: -29.017124 where: bonds (distance) C4'-P energy: -7.667 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -5.896 flat angles P-C4'-P energy: -4.942 tors. eta vs tors. theta energy: -3.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -48.902195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.902195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.902195 (E_RNA) where: Base-Base interactions energy: -18.635 where: short stacking energy: -17.710 Base-Backbone interact. energy: -0.000 local terms energy: -30.267470 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -3.057 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: 8, replica: 10 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -50.250039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.250039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.250039 (E_RNA) where: Base-Base interactions energy: -16.618 where: short stacking energy: -15.448 Base-Backbone interact. energy: -0.100 local terms energy: -33.532270 where: bonds (distance) C4'-P energy: -5.348 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -7.726 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: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -43.062775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.062775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.062775 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -14.404 Base-Backbone interact. energy: -0.000 local terms energy: -28.658440 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -7.258 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -0.064 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: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -43.916039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.916039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.916039 (E_RNA) where: Base-Base interactions energy: -17.895 where: short stacking energy: -17.895 Base-Backbone interact. energy: -0.003 local terms energy: -26.018060 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -7.553 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.364 tors. eta vs tors. theta energy: -3.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -72.698320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.698320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.698320 (E_RNA) where: Base-Base interactions energy: -36.310 where: short stacking energy: -24.889 Base-Backbone interact. energy: -0.345 local terms energy: -36.043329 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -7.228 flat angles P-C4'-P energy: -6.814 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: 2, replica: 4 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -68.066952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.066952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.066952 (E_RNA) where: Base-Base interactions energy: -32.813 where: short stacking energy: -32.813 Base-Backbone interact. energy: -0.000 local terms energy: -35.253488 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -4.846 tors. eta vs tors. theta energy: -9.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -60.935545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.935545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.935545 (E_RNA) where: Base-Base interactions energy: -25.767 where: short stacking energy: -21.906 Base-Backbone interact. energy: -0.527 local terms energy: -34.641947 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -6.003 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: 4, replica: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -54.032158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.032158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.032158 (E_RNA) where: Base-Base interactions energy: -23.348 where: short stacking energy: -21.562 Base-Backbone interact. energy: -0.012 local terms energy: -30.672288 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -6.667 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: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -46.547361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.547361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.547361 (E_RNA) where: Base-Base interactions energy: -18.645 where: short stacking energy: -19.561 Base-Backbone interact. energy: -0.006 local terms energy: -27.896605 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -55.791881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.791881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.791881 (E_RNA) where: Base-Base interactions energy: -25.367 where: short stacking energy: -23.960 Base-Backbone interact. energy: -0.001 local terms energy: -30.424049 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.255 flat angles P-C4'-P energy: -2.928 tors. eta vs tors. theta energy: -8.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -48.582383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.582383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.582383 (E_RNA) where: Base-Base interactions energy: -17.594 where: short stacking energy: -17.594 Base-Backbone interact. energy: -0.040 local terms energy: -30.948692 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -4.793 tors. eta vs tors. theta energy: -3.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -43.738941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.738941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.738941 (E_RNA) where: Base-Base interactions energy: -15.241 where: short stacking energy: -14.372 Base-Backbone interact. energy: -0.038 local terms energy: -28.460122 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.266 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -3.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -47.747334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.747334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.747334 (E_RNA) where: Base-Base interactions energy: -17.137 where: short stacking energy: -17.137 Base-Backbone interact. energy: -0.000 local terms energy: -30.609583 where: bonds (distance) C4'-P energy: -8.523 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -7.350 flat angles P-C4'-P energy: -3.380 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: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -39.300026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.300026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.300026 (E_RNA) where: Base-Base interactions energy: -11.479 where: short stacking energy: -11.479 Base-Backbone interact. energy: -0.006 local terms energy: -27.815420 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -1.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -64.638595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.638595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.638595 (E_RNA) where: Base-Base interactions energy: -30.896 where: short stacking energy: -30.896 Base-Backbone interact. energy: -0.000 local terms energy: -33.742213 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -6.580 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: 9 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -61.148539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.148539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.148539 (E_RNA) where: Base-Base interactions energy: -29.397 where: short stacking energy: -21.833 Base-Backbone interact. energy: 0.081 local terms energy: -31.831871 where: bonds (distance) C4'-P energy: -6.051 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -9.114 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -54.981608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.981608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.981608 (E_RNA) where: Base-Base interactions energy: -21.255 where: short stacking energy: -21.255 Base-Backbone interact. energy: -0.084 local terms energy: -33.641954 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -6.301 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: 4, replica: 2 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -71.539666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.539666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.539666 (E_RNA) where: Base-Base interactions energy: -37.415 where: short stacking energy: -23.955 Base-Backbone interact. energy: -0.001 local terms energy: -34.123874 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -2.158 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: 5, replica: 5 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -50.273555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.273555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.273555 (E_RNA) where: Base-Base interactions energy: -17.360 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.223 local terms energy: -32.690695 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.388 flat angles P-C4'-P energy: -6.394 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: 6, replica: 3 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -47.482883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.482883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.482883 (E_RNA) where: Base-Base interactions energy: -18.943 where: short stacking energy: -18.943 Base-Backbone interact. energy: -0.008 local terms energy: -28.531326 where: bonds (distance) C4'-P energy: -3.494 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -4.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -42.327085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.327085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.327085 (E_RNA) where: Base-Base interactions energy: -15.398 where: short stacking energy: -15.398 Base-Backbone interact. energy: 0.008 local terms energy: -26.936810 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: 0.024 flat angles P-C4'-P energy: -7.684 tors. eta vs tors. theta energy: -2.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -47.159099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.159099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.159099 (E_RNA) where: Base-Base interactions energy: -14.505 where: short stacking energy: -12.985 Base-Backbone interact. energy: -0.993 local terms energy: -31.661356 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -1.392 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: 456 Temperature: 1.300000 Total energy: -42.110732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.110732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.110732 (E_RNA) where: Base-Base interactions energy: -14.734 where: short stacking energy: -14.734 Base-Backbone interact. energy: -0.135 local terms energy: -27.242058 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -2.249 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: 456 Temperature: 1.350000 Total energy: -42.184119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184119 (E_RNA) where: Base-Base interactions energy: -12.120 where: short stacking energy: -12.120 Base-Backbone interact. energy: -0.091 local terms energy: -29.973932 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -5.987 tors. eta vs tors. theta energy: -2.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -65.895325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.895325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.895325 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -28.044 Base-Backbone interact. energy: -0.000 local terms energy: -37.850807 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -6.307 tors. eta vs tors. theta energy: -7.016 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: 2, replica: 1 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -61.997959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.997959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.997959 (E_RNA) where: Base-Base interactions energy: -29.299 where: short stacking energy: -19.597 Base-Backbone interact. energy: -0.022 local terms energy: -32.677255 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -3.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -63.017838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.017838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.017838 (E_RNA) where: Base-Base interactions energy: -29.241 where: short stacking energy: -25.880 Base-Backbone interact. energy: -0.010 local terms energy: -33.766947 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -6.405 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: 4, replica: 2 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -59.441418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.441418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.441418 (E_RNA) where: Base-Base interactions energy: -23.526 where: short stacking energy: -23.526 Base-Backbone interact. energy: -0.001 local terms energy: -35.914952 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -5.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -62.075656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.075656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.075656 (E_RNA) where: Base-Base interactions energy: -26.800 where: short stacking energy: -25.302 Base-Backbone interact. energy: -0.000 local terms energy: -35.275070 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -8.235 tors. eta vs tors. theta energy: -4.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -49.527134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.527134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.527134 (E_RNA) where: Base-Base interactions energy: -17.061 where: short stacking energy: -17.061 Base-Backbone interact. energy: -0.021 local terms energy: -32.445529 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -3.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -58.357587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.357587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.357587 (E_RNA) where: Base-Base interactions energy: -24.823 where: short stacking energy: -24.823 Base-Backbone interact. energy: -0.100 local terms energy: -33.434296 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -4.570 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: 8, replica: 8 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -50.125405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.125405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.125405 (E_RNA) where: Base-Base interactions energy: -24.606 where: short stacking energy: -17.153 Base-Backbone interact. energy: -0.082 local terms energy: -25.436784 where: bonds (distance) C4'-P energy: -1.859 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.026 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -3.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -48.565052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.565052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.565052 (E_RNA) where: Base-Base interactions energy: -16.302 where: short stacking energy: -16.302 Base-Backbone interact. energy: -0.000 local terms energy: -32.263233 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.932 flat angles P-C4'-P energy: -4.719 tors. eta vs tors. theta energy: -6.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -50.449740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.449740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.449740 (E_RNA) where: Base-Base interactions energy: -18.085 where: short stacking energy: -18.085 Base-Backbone interact. energy: -0.001 local terms energy: -32.363027 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.204 tors. eta vs tors. theta energy: -5.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -68.089477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.089477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.089477 (E_RNA) where: Base-Base interactions energy: -29.340 where: short stacking energy: -29.340 Base-Backbone interact. energy: -0.017 local terms energy: -38.732620 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -5.657 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: 2, replica: 4 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -56.465964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.465964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.465964 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -23.879 Base-Backbone interact. energy: -0.016 local terms energy: -30.813719 where: bonds (distance) C4'-P energy: -5.515 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -8.685 flat angles P-C4'-P energy: -4.456 tors. eta vs tors. theta energy: -6.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -57.522571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.522571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.522571 (E_RNA) where: Base-Base interactions energy: -26.364 where: short stacking energy: -26.364 Base-Backbone interact. energy: -0.114 local terms energy: -31.044616 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -4.731 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: 4, replica: 9 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -46.381240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.381240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.381240 (E_RNA) where: Base-Base interactions energy: -18.387 where: short stacking energy: -10.985 Base-Backbone interact. energy: -0.174 local terms energy: -27.820526 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -4.837 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: 5, replica: 6 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -58.229899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.229899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.229899 (E_RNA) where: Base-Base interactions energy: -29.446 where: short stacking energy: -29.446 Base-Backbone interact. energy: -0.018 local terms energy: -28.766444 where: bonds (distance) C4'-P energy: -5.076 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.116 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -5.918 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: 5 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -52.884447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.884447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.884447 (E_RNA) where: Base-Base interactions energy: -23.803 where: short stacking energy: -21.385 Base-Backbone interact. energy: -0.428 local terms energy: -28.652634 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -47.813384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.813384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.813384 (E_RNA) where: Base-Base interactions energy: -17.046 where: short stacking energy: -16.025 Base-Backbone interact. energy: -0.001 local terms energy: -30.766625 where: bonds (distance) C4'-P energy: -4.869 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.498 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -47.949673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.949673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.949673 (E_RNA) where: Base-Base interactions energy: -18.430 where: short stacking energy: -18.530 Base-Backbone interact. energy: 1.202 local terms energy: -30.722011 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -3.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -43.219840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.219840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.219840 (E_RNA) where: Base-Base interactions energy: -9.914 where: short stacking energy: -9.914 Base-Backbone interact. energy: -0.070 local terms energy: -33.234944 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -6.047 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: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -45.734447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.734447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.734447 (E_RNA) where: Base-Base interactions energy: -20.639 where: short stacking energy: -13.483 Base-Backbone interact. energy: -0.011 local terms energy: -25.085006 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -4.452 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: 1, replica: 1 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -63.889804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.889804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.889804 (E_RNA) where: Base-Base interactions energy: -32.547 where: short stacking energy: -24.644 Base-Backbone interact. energy: -0.015 local terms energy: -31.328448 where: bonds (distance) C4'-P energy: -7.592 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -3.931 tors. eta vs tors. theta energy: -4.860 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: 2 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -62.931842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.931842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.931842 (E_RNA) where: Base-Base interactions energy: -26.072 where: short stacking energy: -26.072 Base-Backbone interact. energy: -0.000 local terms energy: -36.859644 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.520 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -52.729895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.729895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.729895 (E_RNA) where: Base-Base interactions energy: -19.561 where: short stacking energy: -19.561 Base-Backbone interact. energy: -0.002 local terms energy: -33.167348 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -4.737 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: 4, replica: 6 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -70.076751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.076751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.076751 (E_RNA) where: Base-Base interactions energy: -40.965 where: short stacking energy: -25.993 Base-Backbone interact. energy: 0.509 local terms energy: -29.620735 where: bonds (distance) C4'-P energy: -6.706 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.039 flat angles P-C4'-P energy: -4.689 tors. eta vs tors. theta energy: -5.171 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: 9 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -55.298759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.298759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.298759 (E_RNA) where: Base-Base interactions energy: -19.779 where: short stacking energy: -19.779 Base-Backbone interact. energy: -0.001 local terms energy: -35.518854 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -7.069 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: 6, replica: 5 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -53.142054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.142054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.142054 (E_RNA) where: Base-Base interactions energy: -20.619 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.002 local terms energy: -32.521711 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.036 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: 8 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -50.462665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.462665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.462665 (E_RNA) where: Base-Base interactions energy: -18.813 where: short stacking energy: -18.813 Base-Backbone interact. energy: -0.000 local terms energy: -31.649232 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -2.961 tors. eta vs tors. theta energy: -4.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -43.050657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.050657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.050657 (E_RNA) where: Base-Base interactions energy: -16.800 where: short stacking energy: -12.955 Base-Backbone interact. energy: -0.048 local terms energy: -26.202320 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -0.466 tors. eta vs tors. theta energy: -2.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -42.475057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.475057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.475057 (E_RNA) where: Base-Base interactions energy: -13.678 where: short stacking energy: -13.678 Base-Backbone interact. energy: -0.000 local terms energy: -28.796557 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -5.726 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -3.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -41.569260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.569260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.569260 (E_RNA) where: Base-Base interactions energy: -15.789 where: short stacking energy: -15.789 Base-Backbone interact. energy: -0.072 local terms energy: -25.708179 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -7.305 flat angles P-C4'-P energy: -2.657 tors. eta vs tors. theta energy: -3.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -63.308615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.308615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.308615 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.072 local terms energy: -34.615027 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -60.750557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.750557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.750557 (E_RNA) where: Base-Base interactions energy: -26.249 where: short stacking energy: -24.852 Base-Backbone interact. energy: -0.008 local terms energy: -34.493083 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.190 flat angles P-C4'-P energy: -4.348 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: 3, replica: 6 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -56.367427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.367427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.367427 (E_RNA) where: Base-Base interactions energy: -21.311 where: short stacking energy: -21.311 Base-Backbone interact. energy: -0.276 local terms energy: -34.780915 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -5.639 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: 4 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -53.382943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.382943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.382943 (E_RNA) where: Base-Base interactions energy: -25.434 where: short stacking energy: -25.434 Base-Backbone interact. energy: -0.004 local terms energy: -27.945385 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.671 flat angles P-C4'-P energy: -3.863 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: 5, replica: 5 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -60.771294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.771294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.771294 (E_RNA) where: Base-Base interactions energy: -31.337 where: short stacking energy: -22.943 Base-Backbone interact. energy: -0.170 local terms energy: -29.264377 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.569 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: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -44.137383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.137383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.137383 (E_RNA) where: Base-Base interactions energy: -15.028 where: short stacking energy: -15.028 Base-Backbone interact. energy: -0.000 local terms energy: -29.109184 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -6.638 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -4.104 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: 10 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -46.694102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.694102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.694102 (E_RNA) where: Base-Base interactions energy: -17.630 where: short stacking energy: -17.630 Base-Backbone interact. energy: -0.002 local terms energy: -29.062131 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -2.826 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: 8 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -40.882875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.882875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.882875 (E_RNA) where: Base-Base interactions energy: -13.832 where: short stacking energy: -13.832 Base-Backbone interact. energy: -0.001 local terms energy: -27.049459 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -6.463 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -4.828 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -48.355354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.355354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.355354 (E_RNA) where: Base-Base interactions energy: -15.749 where: short stacking energy: -15.749 Base-Backbone interact. energy: 0.185 local terms energy: -32.791411 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.282 flat angles P-C4'-P energy: -4.346 tors. eta vs tors. theta energy: -5.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -40.019976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.019976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.019976 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -16.801 Base-Backbone interact. energy: -0.004 local terms energy: -23.214551 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -3.087 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -0.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -62.901515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.901515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.901515 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.010 local terms energy: -37.376181 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.927 flat angles P-C4'-P energy: -5.039 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: 2, replica: 6 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -49.540489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.540489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.540489 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.500 Base-Backbone interact. energy: -0.006 local terms energy: -34.033959 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.375 flat angles P-C4'-P energy: -6.533 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: 3, replica: 1 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -56.959609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.959609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.959609 (E_RNA) where: Base-Base interactions energy: -23.849 where: short stacking energy: -23.849 Base-Backbone interact. energy: -0.016 local terms energy: -33.094732 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -5.337 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -64.496021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.496021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.496021 (E_RNA) where: Base-Base interactions energy: -29.289 where: short stacking energy: -14.194 Base-Backbone interact. energy: -0.002 local terms energy: -35.205254 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -3.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -51.257017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.257017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.257017 (E_RNA) where: Base-Base interactions energy: -18.672 where: short stacking energy: -18.672 Base-Backbone interact. energy: -0.150 local terms energy: -32.435146 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -7.456 tors. eta vs tors. theta energy: -3.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -50.279321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.279321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.279321 (E_RNA) where: Base-Base interactions energy: -22.288 where: short stacking energy: -9.941 Base-Backbone interact. energy: -0.012 local terms energy: -27.979187 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.920 flat angles P-C4'-P energy: -4.048 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: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -56.009179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.009179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.009179 (E_RNA) where: Base-Base interactions energy: -22.839 where: short stacking energy: -18.614 Base-Backbone interact. energy: -0.011 local terms energy: -33.159093 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -46.398034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.398034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.398034 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.000 local terms energy: -28.972562 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.498 flat angles P-C4'-P energy: -3.623 tors. eta vs tors. theta energy: -4.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -45.682963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.682963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.682963 (E_RNA) where: Base-Base interactions energy: -23.562 where: short stacking energy: -13.262 Base-Backbone interact. energy: -0.870 local terms energy: -21.251132 where: bonds (distance) C4'-P energy: -3.863 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -3.628 flat angles P-C4'-P energy: -4.711 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -43.271751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.271751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.271751 (E_RNA) where: Base-Base interactions energy: -14.500 where: short stacking energy: -14.500 Base-Backbone interact. energy: -0.003 local terms energy: -28.769273 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -6.721 tors. eta vs tors. theta energy: -4.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -60.509146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.509146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.509146 (E_RNA) where: Base-Base interactions energy: -25.296 where: short stacking energy: -25.296 Base-Backbone interact. energy: -0.000 local terms energy: -35.213430 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -6.523 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: 2, replica: 2 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -58.062843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.062843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.062843 (E_RNA) where: Base-Base interactions energy: -21.078 where: short stacking energy: -21.078 Base-Backbone interact. energy: -0.081 local terms energy: -36.903799 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -6.823 tors. eta vs tors. theta energy: -6.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -58.412580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.412580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.412580 (E_RNA) where: Base-Base interactions energy: -26.348 where: short stacking energy: -17.877 Base-Backbone interact. energy: -0.119 local terms energy: -31.945873 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -55.985287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.985287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.985287 (E_RNA) where: Base-Base interactions energy: -24.992 where: short stacking energy: -20.209 Base-Backbone interact. energy: -0.107 local terms energy: -30.886266 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -4.196 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -64.289299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.289299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.289299 (E_RNA) where: Base-Base interactions energy: -27.722 where: short stacking energy: -27.722 Base-Backbone interact. energy: -0.000 local terms energy: -36.567006 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -4.961 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: 6, replica: 4 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -54.431211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.431211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.431211 (E_RNA) where: Base-Base interactions energy: -19.678 where: short stacking energy: -17.443 Base-Backbone interact. energy: -0.088 local terms energy: -34.665863 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.660 flat angles P-C4'-P energy: -6.348 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: 7, replica: 7 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -45.305671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.305671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.305671 (E_RNA) where: Base-Base interactions energy: -17.008 where: short stacking energy: -17.008 Base-Backbone interact. energy: -0.010 local terms energy: -28.287134 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -4.297 flat angles P-C4'-P energy: -3.116 tors. eta vs tors. theta energy: -4.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -45.223904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.223904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.223904 (E_RNA) where: Base-Base interactions energy: -15.498 where: short stacking energy: -9.465 Base-Backbone interact. energy: -0.003 local terms energy: -29.722396 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -2.241 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: 3 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -44.557357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.557357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.557357 (E_RNA) where: Base-Base interactions energy: -20.900 where: short stacking energy: -20.255 Base-Backbone interact. energy: -0.053 local terms energy: -23.604763 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -6.193 flat angles C4'-P-C4' energy: -3.367 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -4.090 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: 8 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -47.499967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.499967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.499967 (E_RNA) where: Base-Base interactions energy: -15.833 where: short stacking energy: -15.833 Base-Backbone interact. energy: 0.266 local terms energy: -31.933317 where: bonds (distance) C4'-P energy: -5.749 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -4.894 flat angles P-C4'-P energy: -6.327 tors. eta vs tors. theta energy: -7.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -68.007535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.007535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.007535 (E_RNA) where: Base-Base interactions energy: -31.657 where: short stacking energy: -31.657 Base-Backbone interact. energy: -0.004 local terms energy: -36.346474 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -5.378 tors. eta vs tors. theta energy: -9.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -57.906955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.906955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.906955 (E_RNA) where: Base-Base interactions energy: -22.158 where: short stacking energy: -22.158 Base-Backbone interact. energy: -0.000 local terms energy: -35.749150 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.455 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: 3, replica: 2 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -66.194818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.194818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.194818 (E_RNA) where: Base-Base interactions energy: -28.164 where: short stacking energy: -28.164 Base-Backbone interact. energy: -0.000 local terms energy: -38.030415 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -5.246 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: 4, replica: 10 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -47.905065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.905065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.905065 (E_RNA) where: Base-Base interactions energy: -17.871 where: short stacking energy: -15.002 Base-Backbone interact. energy: -0.410 local terms energy: -29.624391 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.235 flat angles P-C4'-P energy: -4.966 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -67.534213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.534213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.534213 (E_RNA) where: Base-Base interactions energy: -35.054 where: short stacking energy: -24.359 Base-Backbone interact. energy: -0.001 local terms energy: -32.479428 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -4.695 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -4.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -54.222124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.222124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.222124 (E_RNA) where: Base-Base interactions energy: -19.901 where: short stacking energy: -19.901 Base-Backbone interact. energy: -0.002 local terms energy: -34.318606 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -4.684 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: 7, replica: 4 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -45.882100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.882100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.882100 (E_RNA) where: Base-Base interactions energy: -14.550 where: short stacking energy: -14.550 Base-Backbone interact. energy: -0.063 local terms energy: -31.269102 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.812 flat angles P-C4'-P energy: -6.250 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -40.756820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.756820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.756820 (E_RNA) where: Base-Base interactions energy: -13.667 where: short stacking energy: -11.388 Base-Backbone interact. energy: -0.290 local terms energy: -26.799576 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -2.374 tors. eta vs tors. theta energy: 0.094 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: 9 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -43.275077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.275077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.275077 (E_RNA) where: Base-Base interactions energy: -16.266 where: short stacking energy: -16.266 Base-Backbone interact. energy: -0.001 local terms energy: -27.008103 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -5.639 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -3.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -42.234278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.234278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.234278 (E_RNA) where: Base-Base interactions energy: -17.576 where: short stacking energy: -17.576 Base-Backbone interact. energy: 0.425 local terms energy: -25.083256 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -5.632 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -3.334 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: 1, replica: 1 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -70.640180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.640180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.640180 (E_RNA) where: Base-Base interactions energy: -33.070 where: short stacking energy: -33.070 Base-Backbone interact. energy: -0.000 local terms energy: -37.569902 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.939 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -4.691 tors. eta vs tors. theta energy: -8.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -54.607611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.607611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.607611 (E_RNA) where: Base-Base interactions energy: -23.506 where: short stacking energy: -22.203 Base-Backbone interact. energy: -0.006 local terms energy: -31.095901 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.946 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -1.776 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: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -63.967670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.967670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.967670 (E_RNA) where: Base-Base interactions energy: -29.428 where: short stacking energy: -29.428 Base-Backbone interact. energy: -0.027 local terms energy: -34.512931 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -8.200 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -8.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -56.877175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.877175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.877175 (E_RNA) where: Base-Base interactions energy: -25.288 where: short stacking energy: -25.288 Base-Backbone interact. energy: -0.000 local terms energy: -31.588698 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -0.798 tors. eta vs tors. theta energy: -10.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -50.478315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.478315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.478315 (E_RNA) where: Base-Base interactions energy: -19.562 where: short stacking energy: -19.562 Base-Backbone interact. energy: -0.044 local terms energy: -30.872390 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -5.038 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: 6, replica: 7 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -51.247416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.247416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.247416 (E_RNA) where: Base-Base interactions energy: -23.896 where: short stacking energy: -23.896 Base-Backbone interact. energy: -0.000 local terms energy: -27.350858 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -3.339 tors. eta vs tors. theta energy: -4.430 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: 3 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -40.795333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.795333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.795333 (E_RNA) where: Base-Base interactions energy: -14.841 where: short stacking energy: -14.841 Base-Backbone interact. energy: -0.268 local terms energy: -25.686621 where: bonds (distance) C4'-P energy: -5.560 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -1.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -43.846652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.846652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.846652 (E_RNA) where: Base-Base interactions energy: -17.953 where: short stacking energy: -17.953 Base-Backbone interact. energy: -0.001 local terms energy: -25.892122 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.929 flat angles P-C4'-P energy: -5.123 tors. eta vs tors. theta energy: 0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -49.938981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.938981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.938981 (E_RNA) where: Base-Base interactions energy: -20.574 where: short stacking energy: -18.772 Base-Backbone interact. energy: 0.128 local terms energy: -29.492847 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -3.966 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -53.731095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.731095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.731095 (E_RNA) where: Base-Base interactions energy: -21.851 where: short stacking energy: -17.570 Base-Backbone interact. energy: -0.000 local terms energy: -31.879853 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.930 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: 1 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -69.793883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.793883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.793883 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -29.757 Base-Backbone interact. energy: -0.000 local terms energy: -40.037256 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.052 flat angles P-C4'-P energy: -5.736 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -69.842633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.842633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.842633 (E_RNA) where: Base-Base interactions energy: -30.255 where: short stacking energy: -30.255 Base-Backbone interact. energy: -0.001 local terms energy: -39.587009 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -9.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -61.474534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.474534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.474534 (E_RNA) where: Base-Base interactions energy: -26.967 where: short stacking energy: -26.967 Base-Backbone interact. energy: -0.004 local terms energy: -34.503653 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -6.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -52.626918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.626918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.626918 (E_RNA) where: Base-Base interactions energy: -20.962 where: short stacking energy: -17.077 Base-Backbone interact. energy: -0.000 local terms energy: -31.664616 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -4.047 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: 5, replica: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -47.835726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.835726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.835726 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.016 local terms energy: -31.813757 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -7.909 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -5.333 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: 3 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -47.000533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.000533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.000533 (E_RNA) where: Base-Base interactions energy: -17.769 where: short stacking energy: -8.322 Base-Backbone interact. energy: -0.015 local terms energy: -29.216119 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.999 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: 2.593 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: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -47.220108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.220108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.220108 (E_RNA) where: Base-Base interactions energy: -15.763 where: short stacking energy: -15.763 Base-Backbone interact. energy: -0.004 local terms energy: -31.452774 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -5.615 tors. eta vs tors. theta energy: -3.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -50.699402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.699402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.699402 (E_RNA) where: Base-Base interactions energy: -20.458 where: short stacking energy: -20.458 Base-Backbone interact. energy: -0.003 local terms energy: -30.238462 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -5.541 flat angles P-C4'-P energy: -5.313 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: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -44.941428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.941428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.941428 (E_RNA) where: Base-Base interactions energy: -15.299 where: short stacking energy: -15.761 Base-Backbone interact. energy: -0.080 local terms energy: -29.562723 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.444 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -5.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -42.691783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.691783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.691783 (E_RNA) where: Base-Base interactions energy: -18.258 where: short stacking energy: -12.334 Base-Backbone interact. energy: -0.134 local terms energy: -24.299402 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -7.514 flat angles P-C4'-P energy: -3.220 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: 10 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -72.383149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.383149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.383149 (E_RNA) where: Base-Base interactions energy: -35.931 where: short stacking energy: -29.711 Base-Backbone interact. energy: -0.004 local terms energy: -36.448543 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -10.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -63.937277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.937277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.937277 (E_RNA) where: Base-Base interactions energy: -28.193 where: short stacking energy: -28.193 Base-Backbone interact. energy: -0.007 local terms energy: -35.737602 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -6.653 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -57.954125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.954125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.954125 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -23.065 Base-Backbone interact. energy: -0.001 local terms energy: -31.375819 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -2.051 tors. eta vs tors. theta energy: -6.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -52.392838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.392838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.392838 (E_RNA) where: Base-Base interactions energy: -22.959 where: short stacking energy: -22.959 Base-Backbone interact. energy: -0.482 local terms energy: -28.951992 where: bonds (distance) C4'-P energy: -3.780 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -5.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -53.059712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.059712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.059712 (E_RNA) where: Base-Base interactions energy: -23.238 where: short stacking energy: -20.290 Base-Backbone interact. energy: -0.161 local terms energy: -29.659989 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.116 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -5.437 tors. eta vs tors. theta energy: -1.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -54.854923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.854923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.854923 (E_RNA) where: Base-Base interactions energy: -24.721 where: short stacking energy: -18.797 Base-Backbone interact. energy: -0.038 local terms energy: -30.096239 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.124 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: 7, replica: 8 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -47.448847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.448847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.448847 (E_RNA) where: Base-Base interactions energy: -16.797 where: short stacking energy: -8.606 Base-Backbone interact. energy: -0.189 local terms energy: -30.462835 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -5.038 tors. eta vs tors. theta energy: -3.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -52.853404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.853404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.853404 (E_RNA) where: Base-Base interactions energy: -18.890 where: short stacking energy: -14.628 Base-Backbone interact. energy: -0.336 local terms energy: -33.628194 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -5.761 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: 9, replica: 9 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -41.127338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.127338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.127338 (E_RNA) where: Base-Base interactions energy: -16.844 where: short stacking energy: -10.567 Base-Backbone interact. energy: -0.095 local terms energy: -24.188442 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -4.173 flat angles P-C4'-P energy: -6.853 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: 10, replica: 4 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -41.314800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.314800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.314800 (E_RNA) where: Base-Base interactions energy: -18.125 where: short stacking energy: -18.125 Base-Backbone interact. energy: -0.002 local terms energy: -23.188208 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -5.018 flat angles C4'-P-C4' energy: -7.348 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: -3.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -66.340713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.340713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.340713 (E_RNA) where: Base-Base interactions energy: -34.189 where: short stacking energy: -22.001 Base-Backbone interact. energy: -1.034 local terms energy: -31.117838 where: bonds (distance) C4'-P energy: -5.787 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -5.906 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: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -65.612446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.612446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.612446 (E_RNA) where: Base-Base interactions energy: -31.161 where: short stacking energy: -26.524 Base-Backbone interact. energy: -0.020 local terms energy: -34.431367 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -5.938 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: 467 Temperature: 1.000000 Total energy: -58.447628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.447628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.447628 (E_RNA) where: Base-Base interactions energy: -30.242 where: short stacking energy: -20.760 Base-Backbone interact. energy: -0.002 local terms energy: -28.204028 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.454 flat angles P-C4'-P energy: -5.720 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: 4, replica: 3 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -59.975873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.975873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.975873 (E_RNA) where: Base-Base interactions energy: -33.962 where: short stacking energy: -23.403 Base-Backbone interact. energy: -0.008 local terms energy: -26.006345 where: bonds (distance) C4'-P energy: -2.775 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.462 flat angles P-C4'-P energy: -4.860 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: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -51.891238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.891238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.891238 (E_RNA) where: Base-Base interactions energy: -23.763 where: short stacking energy: -23.763 Base-Backbone interact. energy: -0.001 local terms energy: -28.127159 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.105 flat angles P-C4'-P energy: -1.382 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: 6, replica: 8 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -48.312135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.312135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.312135 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -14.693 Base-Backbone interact. energy: 0.428 local terms energy: -24.495947 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -2.282 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: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -52.285569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.285569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.285569 (E_RNA) where: Base-Base interactions energy: -21.039 where: short stacking energy: -20.931 Base-Backbone interact. energy: -0.007 local terms energy: -31.240386 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -2.752 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: 8, replica: 9 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -46.794874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.794874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.794874 (E_RNA) where: Base-Base interactions energy: -20.025 where: short stacking energy: -20.025 Base-Backbone interact. energy: -0.002 local terms energy: -26.768212 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -5.896 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -5.274 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: 467 Temperature: 1.300000 Total energy: -48.437817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.437817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.437817 (E_RNA) where: Base-Base interactions energy: -21.469 where: short stacking energy: -21.469 Base-Backbone interact. energy: -0.000 local terms energy: -26.968975 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -5.536 flat angles C4'-P-C4' energy: -5.215 flat angles P-C4'-P energy: -3.353 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: 10, replica: 4 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -45.345943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.345943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.345943 (E_RNA) where: Base-Base interactions energy: -14.755 where: short stacking energy: -14.755 Base-Backbone interact. energy: 0.340 local terms energy: -30.930278 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -5.104 flat angles P-C4'-P energy: -4.786 tors. eta vs tors. theta energy: -5.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -66.321564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.321564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.321564 (E_RNA) where: Base-Base interactions energy: -28.529 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.000 local terms energy: -37.792341 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -4.547 tors. eta vs tors. theta energy: -9.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -67.458052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.458052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.458052 (E_RNA) where: Base-Base interactions energy: -38.464 where: short stacking energy: -21.401 Base-Backbone interact. energy: 0.221 local terms energy: -29.215418 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.541 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -0.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -55.754492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.754492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.754492 (E_RNA) where: Base-Base interactions energy: -24.692 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.962 local terms energy: -30.101197 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -51.943654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.943654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.943654 (E_RNA) where: Base-Base interactions energy: -19.500 where: short stacking energy: -19.500 Base-Backbone interact. energy: -0.000 local terms energy: -32.443927 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -4.969 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: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -57.695907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.695907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.695907 (E_RNA) where: Base-Base interactions energy: -24.232 where: short stacking energy: -23.671 Base-Backbone interact. energy: -0.000 local terms energy: -33.463320 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.161 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -5.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -51.870710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.870710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.870710 (E_RNA) where: Base-Base interactions energy: -25.158 where: short stacking energy: -19.488 Base-Backbone interact. energy: -0.002 local terms energy: -26.710588 where: bonds (distance) C4'-P energy: -4.844 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.660 flat angles P-C4'-P energy: -3.976 tors. eta vs tors. theta energy: -5.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -47.036521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.036521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.036521 (E_RNA) where: Base-Base interactions energy: -17.973 where: short stacking energy: -17.973 Base-Backbone interact. energy: -0.000 local terms energy: -29.063047 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -42.778583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.778583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.778583 (E_RNA) where: Base-Base interactions energy: -14.254 where: short stacking energy: -14.254 Base-Backbone interact. energy: -0.003 local terms energy: -28.521926 where: bonds (distance) C4'-P energy: -5.161 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -1.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -44.268334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.268334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.268334 (E_RNA) where: Base-Base interactions energy: -16.326 where: short stacking energy: -16.326 Base-Backbone interact. energy: -0.019 local terms energy: -27.923552 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.106 flat angles P-C4'-P energy: -3.526 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: 10, replica: 7 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -40.816383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.816383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.816383 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -18.351 Base-Backbone interact. energy: -0.004 local terms energy: -22.461626 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.146 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -1.193 tors. eta vs tors. theta energy: -1.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -65.478157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.478157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.478157 (E_RNA) where: Base-Base interactions energy: -32.189 where: short stacking energy: -32.189 Base-Backbone interact. energy: -0.000 local terms energy: -33.288823 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -4.691 flat angles P-C4'-P energy: -6.206 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: 2, replica: 10 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -71.370088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.370088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.370088 (E_RNA) where: Base-Base interactions energy: -36.182 where: short stacking energy: -17.434 Base-Backbone interact. energy: -0.022 local terms energy: -35.165884 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -6.343 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -57.075002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.075002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.075002 (E_RNA) where: Base-Base interactions energy: -23.468 where: short stacking energy: -23.468 Base-Backbone interact. energy: -0.001 local terms energy: -33.606309 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.357 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: 4, replica: 8 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -51.482881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.482881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.482881 (E_RNA) where: Base-Base interactions energy: -18.061 where: short stacking energy: -18.035 Base-Backbone interact. energy: -0.109 local terms energy: -33.312737 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -5.140 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: 5, replica: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -53.048410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.048410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.048410 (E_RNA) where: Base-Base interactions energy: -25.342 where: short stacking energy: -17.592 Base-Backbone interact. energy: -0.169 local terms energy: -27.537234 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -2.977 tors. eta vs tors. theta energy: -2.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -57.140073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.140073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.140073 (E_RNA) where: Base-Base interactions energy: -27.245 where: short stacking energy: -23.723 Base-Backbone interact. energy: -0.000 local terms energy: -29.894811 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -4.558 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -53.508742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.508742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.508742 (E_RNA) where: Base-Base interactions energy: -20.936 where: short stacking energy: -20.936 Base-Backbone interact. energy: -0.007 local terms energy: -32.565575 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -4.871 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: 8, replica: 4 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -48.747137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.747137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.747137 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -22.166 Base-Backbone interact. energy: -0.021 local terms energy: -26.303728 where: bonds (distance) C4'-P energy: -0.161 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -5.945 tors. eta vs tors. theta energy: -2.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -40.803069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.803069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.803069 (E_RNA) where: Base-Base interactions energy: -18.835 where: short stacking energy: -18.835 Base-Backbone interact. energy: -0.048 local terms energy: -21.919836 where: bonds (distance) C4'-P energy: -2.306 bonds (distance) P-C4' energy: -4.693 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -3.065 tors. eta vs tors. theta energy: -4.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -42.134967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.134967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.134967 (E_RNA) where: Base-Base interactions energy: -14.188 where: short stacking energy: -14.188 Base-Backbone interact. energy: -0.005 local terms energy: -27.942115 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -4.202 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: 10 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -66.618058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.618058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.618058 (E_RNA) where: Base-Base interactions energy: -28.183 where: short stacking energy: -28.183 Base-Backbone interact. energy: -0.000 local terms energy: -38.434853 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -7.002 tors. eta vs tors. theta energy: -7.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -69.626990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.626990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.626990 (E_RNA) where: Base-Base interactions energy: -36.581 where: short stacking energy: -24.785 Base-Backbone interact. energy: -0.003 local terms energy: -33.043252 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.283 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -4.198 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: 3 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -55.722385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.722385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.722385 (E_RNA) where: Base-Base interactions energy: -21.233 where: short stacking energy: -21.233 Base-Backbone interact. energy: -0.000 local terms energy: -34.489043 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -5.846 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: 4, replica: 8 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -58.129928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.129928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.129928 (E_RNA) where: Base-Base interactions energy: -23.358 where: short stacking energy: -23.358 Base-Backbone interact. energy: -0.000 local terms energy: -34.771281 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.343 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -6.287 tors. eta vs tors. theta energy: -5.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -52.869780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.869780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.869780 (E_RNA) where: Base-Base interactions energy: -19.740 where: short stacking energy: -19.740 Base-Backbone interact. energy: -0.042 local terms energy: -33.088156 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -3.125 tors. eta vs tors. theta energy: -4.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -57.733945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.733945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.733945 (E_RNA) where: Base-Base interactions energy: -30.195 where: short stacking energy: -21.155 Base-Backbone interact. energy: -0.187 local terms energy: -27.352148 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -6.004 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -43.474331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.474331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.474331 (E_RNA) where: Base-Base interactions energy: -17.799 where: short stacking energy: -12.165 Base-Backbone interact. energy: -0.143 local terms energy: -25.532252 where: bonds (distance) C4'-P energy: -1.738 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.800 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: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -45.183695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.183695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.183695 (E_RNA) where: Base-Base interactions energy: -15.806 where: short stacking energy: -15.806 Base-Backbone interact. energy: -0.020 local terms energy: -29.357708 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -2.604 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: 7 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -46.250860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.250860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.250860 (E_RNA) where: Base-Base interactions energy: -17.939 where: short stacking energy: -17.939 Base-Backbone interact. energy: 0.008 local terms energy: -28.320161 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.923 flat angles C4'-P-C4' energy: -4.751 flat angles P-C4'-P energy: -4.015 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: 10, replica: 2 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -49.192774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.192774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.192774 (E_RNA) where: Base-Base interactions energy: -23.415 where: short stacking energy: -23.103 Base-Backbone interact. energy: -0.000 local terms energy: -25.777592 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -3.613 flat angles P-C4'-P energy: -4.741 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: 1, replica: 10 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -70.372880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.372880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.372880 (E_RNA) where: Base-Base interactions energy: -34.046 where: short stacking energy: -28.834 Base-Backbone interact. energy: 0.046 local terms energy: -36.371957 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -6.227 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: 471 Temperature: 0.950000 Total energy: -61.608979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.608979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.608979 (E_RNA) where: Base-Base interactions energy: -28.810 where: short stacking energy: -28.810 Base-Backbone interact. energy: -0.000 local terms energy: -32.799176 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.801 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.430 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -64.122372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.122372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.122372 (E_RNA) where: Base-Base interactions energy: -33.654 where: short stacking energy: -33.654 Base-Backbone interact. energy: -0.002 local terms energy: -30.467176 where: bonds (distance) C4'-P energy: -6.124 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.429 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -6.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -61.844276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.844276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.844276 (E_RNA) where: Base-Base interactions energy: -28.732 where: short stacking energy: -19.129 Base-Backbone interact. energy: -0.152 local terms energy: -32.959456 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -4.152 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: 5, replica: 8 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -62.901153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.901153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.901153 (E_RNA) where: Base-Base interactions energy: -23.686 where: short stacking energy: -23.686 Base-Backbone interact. energy: -0.001 local terms energy: -39.214851 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: -8.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -51.327016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.327016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.327016 (E_RNA) where: Base-Base interactions energy: -27.212 where: short stacking energy: -17.728 Base-Backbone interact. energy: 0.100 local terms energy: -24.215002 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -2.916 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -2.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -49.951693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.951693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.951693 (E_RNA) where: Base-Base interactions energy: -31.256 where: short stacking energy: -15.522 Base-Backbone interact. energy: -0.130 local terms energy: -18.565332 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -1.590 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: 0.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -51.708172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.708172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.708172 (E_RNA) where: Base-Base interactions energy: -21.171 where: short stacking energy: -21.171 Base-Backbone interact. energy: -0.009 local terms energy: -30.528054 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.831 flat angles P-C4'-P energy: -7.120 tors. eta vs tors. theta energy: -3.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -52.237687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.237687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.237687 (E_RNA) where: Base-Base interactions energy: -20.869 where: short stacking energy: -20.869 Base-Backbone interact. energy: -0.046 local terms energy: -31.322548 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -3.089 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: 10, replica: 2 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -41.460889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.460889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.460889 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -13.674 Base-Backbone interact. energy: -0.028 local terms energy: -24.802204 where: bonds (distance) C4'-P energy: -3.879 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: 0.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -56.450911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.450911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.450911 (E_RNA) where: Base-Base interactions energy: -23.263 where: short stacking energy: -20.917 Base-Backbone interact. energy: -0.000 local terms energy: -33.187891 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -4.416 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: 2, replica: 10 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -61.960713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.960713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.960713 (E_RNA) where: Base-Base interactions energy: -24.981 where: short stacking energy: -24.981 Base-Backbone interact. energy: -0.000 local terms energy: -36.979628 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -9.060 flat angles P-C4'-P energy: -5.119 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: 3, replica: 1 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -58.581863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.581863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.581863 (E_RNA) where: Base-Base interactions energy: -22.949 where: short stacking energy: -22.949 Base-Backbone interact. energy: -0.001 local terms energy: -35.632278 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.443 flat angles P-C4'-P energy: -6.426 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: 4, replica: 5 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -52.038771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.038771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.038771 (E_RNA) where: Base-Base interactions energy: -29.125 where: short stacking energy: -26.941 Base-Backbone interact. energy: -0.030 local terms energy: -22.883625 where: bonds (distance) C4'-P energy: -1.710 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -0.629 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: 5, replica: 8 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -63.007141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.007141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.007141 (E_RNA) where: Base-Base interactions energy: -26.218 where: short stacking energy: -26.218 Base-Backbone interact. energy: -0.000 local terms energy: -36.789293 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -7.036 flat angles P-C4'-P energy: -5.783 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: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -42.063282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.063282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.063282 (E_RNA) where: Base-Base interactions energy: -13.368 where: short stacking energy: -13.284 Base-Backbone interact. energy: -0.051 local terms energy: -28.643522 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -3.139 tors. eta vs tors. theta energy: -0.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -50.067163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.067163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.067163 (E_RNA) where: Base-Base interactions energy: -19.581 where: short stacking energy: -19.581 Base-Backbone interact. energy: -0.010 local terms energy: -30.476444 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -3.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -52.505373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.505373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.505373 (E_RNA) where: Base-Base interactions energy: -23.740 where: short stacking energy: -21.248 Base-Backbone interact. energy: -0.012 local terms energy: -28.753565 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -5.642 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -4.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -45.277733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.277733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.277733 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -14.535 Base-Backbone interact. energy: -0.005 local terms energy: -29.925176 where: bonds (distance) C4'-P energy: -4.727 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -4.179 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: 10, replica: 6 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -40.010500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.010500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.010500 (E_RNA) where: Base-Base interactions energy: -16.450 where: short stacking energy: -14.308 Base-Backbone interact. energy: -0.205 local terms energy: -23.354722 where: bonds (distance) C4'-P energy: -7.530 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -2.485 flat angles P-C4'-P energy: -4.914 tors. eta vs tors. theta energy: -1.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -62.794206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.794206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.794206 (E_RNA) where: Base-Base interactions energy: -24.814 where: short stacking energy: -24.814 Base-Backbone interact. energy: -0.000 local terms energy: -37.979663 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -8.829 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: 10 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -64.688912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.688912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.688912 (E_RNA) where: Base-Base interactions energy: -28.537 where: short stacking energy: -28.537 Base-Backbone interact. energy: -0.000 local terms energy: -36.152292 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -5.679 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: 3, replica: 1 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -68.575484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.575484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.575484 (E_RNA) where: Base-Base interactions energy: -35.012 where: short stacking energy: -14.043 Base-Backbone interact. energy: -0.003 local terms energy: -33.561027 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -5.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -53.148714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.148714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.148714 (E_RNA) where: Base-Base interactions energy: -20.405 where: short stacking energy: -20.405 Base-Backbone interact. energy: -0.176 local terms energy: -32.567283 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.264 flat angles P-C4'-P energy: -5.859 tors. eta vs tors. theta energy: -4.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -50.301090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.301090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.301090 (E_RNA) where: Base-Base interactions energy: -17.792 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.039 local terms energy: -32.470187 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.726 tors. eta vs tors. theta energy: -3.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -54.012434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.012434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.012434 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.000 local terms energy: -32.349212 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -6.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -54.491789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.491789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.491789 (E_RNA) where: Base-Base interactions energy: -21.623 where: short stacking energy: -20.996 Base-Backbone interact. energy: -0.022 local terms energy: -32.847017 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.337 flat angles P-C4'-P energy: -4.330 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: 8, replica: 2 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -53.154752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.154752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.154752 (E_RNA) where: Base-Base interactions energy: -25.787 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.005 local terms energy: -27.363210 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: 0.089 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -6.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -40.340233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.340233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.340233 (E_RNA) where: Base-Base interactions energy: -11.845 where: short stacking energy: -11.845 Base-Backbone interact. energy: -0.008 local terms energy: -28.486982 where: bonds (distance) C4'-P energy: -5.526 bonds (distance) P-C4' energy: -7.057 flat angles C4'-P-C4' energy: -7.073 flat angles P-C4'-P energy: -4.926 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: 10, replica: 6 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -48.828082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.828082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.828082 (E_RNA) where: Base-Base interactions energy: -18.642 where: short stacking energy: -18.642 Base-Backbone interact. energy: -0.129 local terms energy: -30.057604 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -2.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -63.186426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.186426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.186426 (E_RNA) where: Base-Base interactions energy: -27.483 where: short stacking energy: -27.483 Base-Backbone interact. energy: -0.003 local terms energy: -35.700346 where: bonds (distance) C4'-P energy: -7.662 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.239 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -6.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -65.512900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.512900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.512900 (E_RNA) where: Base-Base interactions energy: -32.282 where: short stacking energy: -32.282 Base-Backbone interact. energy: -0.000 local terms energy: -33.230848 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -2.667 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: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -60.099584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.099584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.099584 (E_RNA) where: Base-Base interactions energy: -26.642 where: short stacking energy: -14.081 Base-Backbone interact. energy: -0.323 local terms energy: -33.133926 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -5.091 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: 4, replica: 1 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -57.007538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.007538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.007538 (E_RNA) where: Base-Base interactions energy: -28.466 where: short stacking energy: -7.833 Base-Backbone interact. energy: -0.068 local terms energy: -28.474313 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -3.883 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: 5, replica: 5 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -50.888346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.888346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.888346 (E_RNA) where: Base-Base interactions energy: -19.810 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.007 local terms energy: -31.071684 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -5.221 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -46.626651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.626651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.626651 (E_RNA) where: Base-Base interactions energy: -17.861 where: short stacking energy: -17.861 Base-Backbone interact. energy: -0.001 local terms energy: -28.764701 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -5.039 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: 7, replica: 2 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -49.456885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.456885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.456885 (E_RNA) where: Base-Base interactions energy: -23.648 where: short stacking energy: -14.703 Base-Backbone interact. energy: -0.077 local terms energy: -25.732388 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -2.956 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: 8, replica: 4 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -45.227596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.227596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.227596 (E_RNA) where: Base-Base interactions energy: -18.228 where: short stacking energy: -12.639 Base-Backbone interact. energy: -0.006 local terms energy: -26.993856 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -4.150 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -42.570344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.570344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.570344 (E_RNA) where: Base-Base interactions energy: -12.294 where: short stacking energy: -12.294 Base-Backbone interact. energy: 0.919 local terms energy: -31.194997 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -9.379 flat angles P-C4'-P energy: -7.245 tors. eta vs tors. theta energy: 1.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -41.880110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.880110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.880110 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -5.383 Base-Backbone interact. energy: -0.503 local terms energy: -28.661891 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -5.390 flat angles P-C4'-P energy: -6.014 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: 1, replica: 3 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -65.242562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.242562 (E_RNA) where: Base-Base interactions energy: -29.960 where: short stacking energy: -28.081 Base-Backbone interact. energy: -0.008 local terms energy: -35.275200 where: bonds (distance) C4'-P energy: -3.514 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -9.036 flat angles P-C4'-P energy: -6.524 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: 2, replica: 10 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -57.565859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.565859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.565859 (E_RNA) where: Base-Base interactions energy: -22.070 where: short stacking energy: -22.070 Base-Backbone interact. energy: -0.001 local terms energy: -35.494690 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.106 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -7.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -47.827940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.827940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.827940 (E_RNA) where: Base-Base interactions energy: -19.324 where: short stacking energy: -12.193 Base-Backbone interact. energy: -0.335 local terms energy: -28.169423 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -2.603 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: 4, replica: 5 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -53.720069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.720069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.720069 (E_RNA) where: Base-Base interactions energy: -23.507 where: short stacking energy: -23.507 Base-Backbone interact. energy: -0.000 local terms energy: -30.213376 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -1.665 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: 1 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -60.371342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.371342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.371342 (E_RNA) where: Base-Base interactions energy: -26.869 where: short stacking energy: -25.349 Base-Backbone interact. energy: -0.000 local terms energy: -33.502787 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -3.375 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: 6, replica: 2 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -49.709471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.709471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.709471 (E_RNA) where: Base-Base interactions energy: -19.496 where: short stacking energy: -19.496 Base-Backbone interact. energy: -0.051 local terms energy: -30.162478 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.622 flat angles P-C4'-P energy: -3.977 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -54.395260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.395260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.395260 (E_RNA) where: Base-Base interactions energy: -21.858 where: short stacking energy: -10.939 Base-Backbone interact. energy: -0.021 local terms energy: -32.516335 where: bonds (distance) C4'-P energy: -5.994 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -39.856769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.856769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.856769 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.058 local terms energy: -26.543592 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -5.551 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -1.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -39.704220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.704220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.704220 (E_RNA) where: Base-Base interactions energy: -14.852 where: short stacking energy: -14.852 Base-Backbone interact. energy: 0.096 local terms energy: -24.948336 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -3.240 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -0.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -41.830820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.830820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.830820 (E_RNA) where: Base-Base interactions energy: -13.414 where: short stacking energy: -13.414 Base-Backbone interact. energy: -0.002 local terms energy: -28.414846 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.766 flat angles P-C4'-P energy: -6.291 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: 1, replica: 10 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -54.574284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.574284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.574284 (E_RNA) where: Base-Base interactions energy: -25.937 where: short stacking energy: -12.633 Base-Backbone interact. energy: -0.007 local terms energy: -28.630622 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.677 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: 2, replica: 3 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -68.803253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.803253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.803253 (E_RNA) where: Base-Base interactions energy: -36.706 where: short stacking energy: -17.748 Base-Backbone interact. energy: -0.033 local terms energy: -32.063568 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -8.022 flat angles P-C4'-P energy: -3.828 tors. eta vs tors. theta energy: -3.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -57.251037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.251037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.251037 (E_RNA) where: Base-Base interactions energy: -21.918 where: short stacking energy: -21.097 Base-Backbone interact. energy: -0.000 local terms energy: -35.333074 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -6.574 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: 4, replica: 8 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -62.335486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.335486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.335486 (E_RNA) where: Base-Base interactions energy: -25.232 where: short stacking energy: -24.723 Base-Backbone interact. energy: -0.001 local terms energy: -37.102890 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -4.890 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: 5, replica: 2 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -49.024858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.024858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.024858 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -19.608 Base-Backbone interact. energy: -0.000 local terms energy: -29.416362 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -2.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -49.913194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.913194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.913194 (E_RNA) where: Base-Base interactions energy: -20.211 where: short stacking energy: -20.211 Base-Backbone interact. energy: -0.000 local terms energy: -29.702262 where: bonds (distance) C4'-P energy: -7.129 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -2.652 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: 7, replica: 6 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -47.461362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.461362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.461362 (E_RNA) where: Base-Base interactions energy: -14.163 where: short stacking energy: -14.163 Base-Backbone interact. energy: -0.004 local terms energy: -33.294980 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -4.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -43.333846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.333846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.333846 (E_RNA) where: Base-Base interactions energy: -11.559 where: short stacking energy: -10.428 Base-Backbone interact. energy: -0.000 local terms energy: -31.774461 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.023 flat angles P-C4'-P energy: -4.957 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: 9 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -40.509784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.509784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.509784 (E_RNA) where: Base-Base interactions energy: -14.254 where: short stacking energy: -14.254 Base-Backbone interact. energy: -0.002 local terms energy: -26.253902 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -40.890715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.890715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.890715 (E_RNA) where: Base-Base interactions energy: -15.445 where: short stacking energy: -15.445 Base-Backbone interact. energy: -0.015 local terms energy: -25.430457 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -4.112 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -1.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -63.832331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.832331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.832331 (E_RNA) where: Base-Base interactions energy: -27.326 where: short stacking energy: -27.326 Base-Backbone interact. energy: -0.002 local terms energy: -36.504325 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -6.322 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: 2, replica: 3 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -66.865477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.865477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.865477 (E_RNA) where: Base-Base interactions energy: -32.374 where: short stacking energy: -27.757 Base-Backbone interact. energy: -0.001 local terms energy: -34.490463 where: bonds (distance) C4'-P energy: -5.190 bonds (distance) P-C4' energy: -6.481 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -10.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -60.943254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.943254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.943254 (E_RNA) where: Base-Base interactions energy: -25.206 where: short stacking energy: -22.040 Base-Backbone interact. energy: -0.000 local terms energy: -35.737150 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -5.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -50.645026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.645026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.645026 (E_RNA) where: Base-Base interactions energy: -18.847 where: short stacking energy: -18.092 Base-Backbone interact. energy: -0.247 local terms energy: -31.550702 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -2.885 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: 5, replica: 8 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -48.275711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.275711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.275711 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -18.008 Base-Backbone interact. energy: -0.006 local terms energy: -30.261780 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.398 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -6.984 tors. eta vs tors. theta energy: -0.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -44.389446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.389446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.389446 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -17.786 Base-Backbone interact. energy: -0.055 local terms energy: -26.548670 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -6.548 flat angles P-C4'-P energy: -3.512 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: 7, replica: 1 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -50.902942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.902942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.902942 (E_RNA) where: Base-Base interactions energy: -29.114 where: short stacking energy: -16.385 Base-Backbone interact. energy: -0.180 local terms energy: -21.609559 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -3.487 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -41.834280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.834280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.834280 (E_RNA) where: Base-Base interactions energy: -17.401 where: short stacking energy: -10.320 Base-Backbone interact. energy: 0.012 local terms energy: -24.445325 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -9.017 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -0.665 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: 477 Temperature: 1.300000 Total energy: -43.980971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.980971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.980971 (E_RNA) where: Base-Base interactions energy: -13.781 where: short stacking energy: -13.781 Base-Backbone interact. energy: -0.002 local terms energy: -30.197826 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -3.144 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: 4 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -37.188834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.188834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.188834 (E_RNA) where: Base-Base interactions energy: -8.831 where: short stacking energy: -8.831 Base-Backbone interact. energy: 0.085 local terms energy: -28.442975 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: 0.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -58.639773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.639773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.639773 (E_RNA) where: Base-Base interactions energy: -21.735 where: short stacking energy: -21.735 Base-Backbone interact. energy: -0.035 local terms energy: -36.869808 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -6.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -67.676534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.676534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.676534 (E_RNA) where: Base-Base interactions energy: -29.986 where: short stacking energy: -29.986 Base-Backbone interact. energy: -0.003 local terms energy: -37.687529 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.629 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -8.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -54.966417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.966417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.966417 (E_RNA) where: Base-Base interactions energy: -26.498 where: short stacking energy: -26.498 Base-Backbone interact. energy: -0.007 local terms energy: -28.461292 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -7.268 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -53.429364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.429364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.429364 (E_RNA) where: Base-Base interactions energy: -21.750 where: short stacking energy: -21.750 Base-Backbone interact. energy: -0.059 local terms energy: -31.620340 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -4.680 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -5.724 tors. eta vs tors. theta energy: -6.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -54.093366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.093366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.093366 (E_RNA) where: Base-Base interactions energy: -21.164 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.005 local terms energy: -32.924185 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -6.443 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: 6, replica: 8 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -52.410640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.410640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.410640 (E_RNA) where: Base-Base interactions energy: -23.451 where: short stacking energy: -23.451 Base-Backbone interact. energy: -0.039 local terms energy: -28.920550 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.704 flat angles P-C4'-P energy: -3.513 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -45.173734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.173734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.173734 (E_RNA) where: Base-Base interactions energy: -15.362 where: short stacking energy: -10.063 Base-Backbone interact. energy: -0.109 local terms energy: -29.703453 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.661 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: 8, replica: 1 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -49.678640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.678640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.678640 (E_RNA) where: Base-Base interactions energy: -22.585 where: short stacking energy: -22.585 Base-Backbone interact. energy: -0.000 local terms energy: -27.093170 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -4.503 flat angles P-C4'-P energy: -1.944 tors. eta vs tors. theta energy: -4.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -44.654421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.654421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.654421 (E_RNA) where: Base-Base interactions energy: -11.613 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.018 local terms energy: -33.023294 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -4.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -46.883334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.883334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.883334 (E_RNA) where: Base-Base interactions energy: -17.627 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.069 local terms energy: -29.186506 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -4.954 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -72.792256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.792256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.792256 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -33.147 Base-Backbone interact. energy: -0.001 local terms energy: -39.644980 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -8.823 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -8.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -60.337998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.337998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.337998 (E_RNA) where: Base-Base interactions energy: -23.105 where: short stacking energy: -23.105 Base-Backbone interact. energy: -0.000 local terms energy: -37.232718 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -7.306 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: 3, replica: 3 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -50.224327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.224327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.224327 (E_RNA) where: Base-Base interactions energy: -18.738 where: short stacking energy: -18.738 Base-Backbone interact. energy: -0.003 local terms energy: -31.482504 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.553 flat angles P-C4'-P energy: -4.951 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: 4, replica: 6 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -62.370147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.370147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.370147 (E_RNA) where: Base-Base interactions energy: -24.844 where: short stacking energy: -24.844 Base-Backbone interact. energy: -0.095 local terms energy: -37.431518 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -6.579 tors. eta vs tors. theta energy: -5.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -49.554416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.554416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.554416 (E_RNA) where: Base-Base interactions energy: -20.288 where: short stacking energy: -20.288 Base-Backbone interact. energy: 1.540 local terms energy: -30.806477 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -2.901 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: 6, replica: 9 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -55.154112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.154112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.154112 (E_RNA) where: Base-Base interactions energy: -25.681 where: short stacking energy: -19.989 Base-Backbone interact. energy: -0.056 local terms energy: -29.417040 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.014 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -3.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -43.580203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.580203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.580203 (E_RNA) where: Base-Base interactions energy: -19.397 where: short stacking energy: -19.397 Base-Backbone interact. energy: -0.341 local terms energy: -23.842460 where: bonds (distance) C4'-P energy: -5.757 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: 1.882 tors. eta vs tors. theta energy: -2.970 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: 4 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -40.449462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.449462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.449462 (E_RNA) where: Base-Base interactions energy: -11.735 where: short stacking energy: -11.735 Base-Backbone interact. energy: -0.177 local terms energy: -28.537510 where: bonds (distance) C4'-P energy: -4.417 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -5.837 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: 1 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -39.062939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.062939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.062939 (E_RNA) where: Base-Base interactions energy: -12.081 where: short stacking energy: -3.400 Base-Backbone interact. energy: -0.055 local terms energy: -26.927387 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -3.776 tors. eta vs tors. theta energy: 0.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -45.338275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.338275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.338275 (E_RNA) where: Base-Base interactions energy: -16.034 where: short stacking energy: -12.935 Base-Backbone interact. energy: -0.381 local terms energy: -28.923684 where: bonds (distance) C4'-P energy: -4.876 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -2.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -73.671120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.671120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.671120 (E_RNA) where: Base-Base interactions energy: -36.374 where: short stacking energy: -29.263 Base-Backbone interact. energy: -0.000 local terms energy: -37.296665 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -9.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -68.526577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.526577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.526577 (E_RNA) where: Base-Base interactions energy: -29.101 where: short stacking energy: -29.101 Base-Backbone interact. energy: -0.000 local terms energy: -39.425833 where: bonds (distance) C4'-P energy: -6.094 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -8.133 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -10.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -57.740152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.740152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.740152 (E_RNA) where: Base-Base interactions energy: -25.480 where: short stacking energy: -17.919 Base-Backbone interact. energy: -0.392 local terms energy: -31.867554 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.815 flat angles P-C4'-P energy: -4.561 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: 4, replica: 3 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -51.314703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.314703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.314703 (E_RNA) where: Base-Base interactions energy: -20.764 where: short stacking energy: -20.764 Base-Backbone interact. energy: -0.114 local terms energy: -30.437558 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -2.856 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: 9 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -53.168388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.168388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.168388 (E_RNA) where: Base-Base interactions energy: -20.186 where: short stacking energy: -19.384 Base-Backbone interact. energy: -0.000 local terms energy: -32.981704 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -4.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -51.881092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.881092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.881092 (E_RNA) where: Base-Base interactions energy: -21.414 where: short stacking energy: -21.073 Base-Backbone interact. energy: -0.032 local terms energy: -30.435455 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.453 flat angles P-C4'-P energy: -4.870 tors. eta vs tors. theta energy: -3.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -59.131483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.131483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.131483 (E_RNA) where: Base-Base interactions energy: -24.776 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.027 local terms energy: -34.327867 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -6.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -42.433530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.433530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.433530 (E_RNA) where: Base-Base interactions energy: -13.060 where: short stacking energy: -9.820 Base-Backbone interact. energy: -0.023 local terms energy: -29.350462 where: bonds (distance) C4'-P energy: -7.078 bonds (distance) P-C4' energy: -6.107 flat angles C4'-P-C4' energy: -8.153 flat angles P-C4'-P energy: -6.390 tors. eta vs tors. theta energy: -1.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -49.611705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.611705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.611705 (E_RNA) where: Base-Base interactions energy: -21.706 where: short stacking energy: -21.429 Base-Backbone interact. energy: -0.160 local terms energy: -27.745702 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -2.752 tors. eta vs tors. theta energy: -1.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -42.111707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.111707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.111707 (E_RNA) where: Base-Base interactions energy: -17.040 where: short stacking energy: -17.040 Base-Backbone interact. energy: -0.045 local terms energy: -25.027432 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -1.794 tors. eta vs tors. theta energy: -3.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -57.314291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.314291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.314291 (E_RNA) where: Base-Base interactions energy: -22.503 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.034 local terms energy: -34.777354 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -5.323 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: 6 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -64.269503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.269503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.269503 (E_RNA) where: Base-Base interactions energy: -30.898 where: short stacking energy: -25.473 Base-Backbone interact. energy: -0.155 local terms energy: -33.215906 where: bonds (distance) C4'-P energy: -7.252 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -4.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -60.388119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.388119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.388119 (E_RNA) where: Base-Base interactions energy: -26.504 where: short stacking energy: -26.504 Base-Backbone interact. energy: -0.019 local terms energy: -33.865729 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -4.115 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: 4, replica: 9 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -54.541069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.541069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.541069 (E_RNA) where: Base-Base interactions energy: -22.336 where: short stacking energy: -22.336 Base-Backbone interact. energy: -0.002 local terms energy: -32.202947 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.287 flat angles P-C4'-P energy: -6.971 tors. eta vs tors. theta energy: -5.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -50.474280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.474280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.474280 (E_RNA) where: Base-Base interactions energy: -20.595 where: short stacking energy: -19.208 Base-Backbone interact. energy: -0.036 local terms energy: -29.843517 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -4.642 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -3.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -67.631587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.631587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.631587 (E_RNA) where: Base-Base interactions energy: -34.324 where: short stacking energy: -22.907 Base-Backbone interact. energy: -0.002 local terms energy: -33.305401 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.679 flat angles P-C4'-P energy: -5.764 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: 7, replica: 5 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -57.644922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.644922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.644922 (E_RNA) where: Base-Base interactions energy: -27.780 where: short stacking energy: -20.007 Base-Backbone interact. energy: 0.181 local terms energy: -30.046275 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -3.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -52.564097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.564097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.564097 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.010 local terms energy: -26.707153 where: bonds (distance) C4'-P energy: -2.972 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -4.362 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: -5.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -40.733682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.733682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.733682 (E_RNA) where: Base-Base interactions energy: -12.760 where: short stacking energy: -12.760 Base-Backbone interact. energy: -0.012 local terms energy: -27.961165 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -1.388 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -41.978819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.978819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.978819 (E_RNA) where: Base-Base interactions energy: -20.397 where: short stacking energy: -12.848 Base-Backbone interact. energy: -0.003 local terms energy: -21.579474 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -1.186 tors. eta vs tors. theta energy: -0.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -69.991868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.991868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.991868 (E_RNA) where: Base-Base interactions energy: -33.784 where: short stacking energy: -33.784 Base-Backbone interact. energy: -0.000 local terms energy: -36.207578 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -5.080 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: 10 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -50.649509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.649509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.649509 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -16.812 Base-Backbone interact. energy: -0.003 local terms energy: -26.510301 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -5.428 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -5.562 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -70.482748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.482748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.482748 (E_RNA) where: Base-Base interactions energy: -33.094 where: short stacking energy: -33.094 Base-Backbone interact. energy: -0.000 local terms energy: -37.388338 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -7.744 flat angles P-C4'-P energy: -4.359 tors. eta vs tors. theta energy: -10.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -57.301200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.301200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.301200 (E_RNA) where: Base-Base interactions energy: -26.297 where: short stacking energy: -26.297 Base-Backbone interact. energy: -0.001 local terms energy: -31.003188 where: bonds (distance) C4'-P energy: -4.478 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -3.225 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: 5, replica: 4 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -45.937061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.937061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.937061 (E_RNA) where: Base-Base interactions energy: -13.453 where: short stacking energy: -13.453 Base-Backbone interact. energy: -0.010 local terms energy: -32.473910 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -2.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -59.525817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.525817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.525817 (E_RNA) where: Base-Base interactions energy: -27.956 where: short stacking energy: -27.956 Base-Backbone interact. energy: -0.001 local terms energy: -31.569172 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -2.838 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -38.404793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.404793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.404793 (E_RNA) where: Base-Base interactions energy: -15.498 where: short stacking energy: -14.556 Base-Backbone interact. energy: -0.007 local terms energy: -22.899622 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.799 flat angles C4'-P-C4' energy: -3.817 flat angles P-C4'-P energy: -2.796 tors. eta vs tors. theta energy: -1.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -50.323055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.323055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.323055 (E_RNA) where: Base-Base interactions energy: -20.659 where: short stacking energy: -16.040 Base-Backbone interact. energy: -0.004 local terms energy: -29.659878 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.029 flat angles C4'-P-C4' energy: -5.715 flat angles P-C4'-P energy: -4.410 tors. eta vs tors. theta energy: -4.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -45.003365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.003365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.003365 (E_RNA) where: Base-Base interactions energy: -18.315 where: short stacking energy: -11.897 Base-Backbone interact. energy: 0.810 local terms energy: -27.498352 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -0.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -44.832360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.832360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.832360 (E_RNA) where: Base-Base interactions energy: -14.983 where: short stacking energy: -14.983 Base-Backbone interact. energy: -0.023 local terms energy: -29.825840 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -4.639 tors. eta vs tors. theta energy: -3.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -58.400313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.400313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.400313 (E_RNA) where: Base-Base interactions energy: -21.529 where: short stacking energy: -21.529 Base-Backbone interact. energy: -0.016 local terms energy: -36.854442 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.340 flat angles P-C4'-P energy: -5.097 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: 2, replica: 10 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -59.338440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.338440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.338440 (E_RNA) where: Base-Base interactions energy: -28.858 where: short stacking energy: -14.719 Base-Backbone interact. energy: -0.107 local terms energy: -30.373826 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -70.956547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.956547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.956547 (E_RNA) where: Base-Base interactions energy: -35.673 where: short stacking energy: -30.943 Base-Backbone interact. energy: -0.565 local terms energy: -34.718221 where: bonds (distance) C4'-P energy: -4.965 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.365 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -7.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -58.558103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.558103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.558103 (E_RNA) where: Base-Base interactions energy: -26.689 where: short stacking energy: -26.689 Base-Backbone interact. energy: -0.214 local terms energy: -31.655078 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.615 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -3.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -51.559716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.559716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.559716 (E_RNA) where: Base-Base interactions energy: -20.091 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.000 local terms energy: -31.468444 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -4.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -51.019948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.019948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.019948 (E_RNA) where: Base-Base interactions energy: -17.265 where: short stacking energy: -13.162 Base-Backbone interact. energy: -0.018 local terms energy: -33.736789 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -5.824 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: 7, replica: 5 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -53.116894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.116894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.116894 (E_RNA) where: Base-Base interactions energy: -20.116 where: short stacking energy: -20.116 Base-Backbone interact. energy: -0.068 local terms energy: -32.932540 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -3.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -46.655914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.655914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.655914 (E_RNA) where: Base-Base interactions energy: -16.008 where: short stacking energy: -16.008 Base-Backbone interact. energy: -0.001 local terms energy: -30.647471 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.819 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -5.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -42.791374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.791374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.791374 (E_RNA) where: Base-Base interactions energy: -14.262 where: short stacking energy: -14.262 Base-Backbone interact. energy: -0.214 local terms energy: -28.315547 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -3.944 tors. eta vs tors. theta energy: -2.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -41.344661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.344661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.344661 (E_RNA) where: Base-Base interactions energy: -14.175 where: short stacking energy: -14.175 Base-Backbone interact. energy: 0.898 local terms energy: -28.067560 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -2.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -65.216988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.216988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.216988 (E_RNA) where: Base-Base interactions energy: -27.179 where: short stacking energy: -27.179 Base-Backbone interact. energy: -0.003 local terms energy: -38.035078 where: bonds (distance) C4'-P energy: -6.066 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -7.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -60.266273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.266273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.266273 (E_RNA) where: Base-Base interactions energy: -26.457 where: short stacking energy: -24.804 Base-Backbone interact. energy: -0.001 local terms energy: -33.808532 where: bonds (distance) C4'-P energy: -5.482 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -7.299 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: 484 Temperature: 1.000000 Total energy: -57.901729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.901729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.901729 (E_RNA) where: Base-Base interactions energy: -27.965 where: short stacking energy: -16.686 Base-Backbone interact. energy: -0.059 local terms energy: -29.878598 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -4.025 flat angles P-C4'-P energy: -5.804 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: 4, replica: 4 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -54.184335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.184335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.184335 (E_RNA) where: Base-Base interactions energy: -28.053 where: short stacking energy: -18.518 Base-Backbone interact. energy: -0.050 local terms energy: -26.081520 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -5.166 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -2.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -53.411860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.411860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.411860 (E_RNA) where: Base-Base interactions energy: -22.595 where: short stacking energy: -22.595 Base-Backbone interact. energy: -0.017 local terms energy: -30.799584 where: bonds (distance) C4'-P energy: -4.069 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.998 tors. eta vs tors. theta energy: -6.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -52.098762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.098762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.098762 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.000 local terms energy: -34.290992 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -4.869 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: 7, replica: 1 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -47.663367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.663367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.663367 (E_RNA) where: Base-Base interactions energy: -16.039 where: short stacking energy: -16.039 Base-Backbone interact. energy: -0.005 local terms energy: -31.619257 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -5.514 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: 8, replica: 5 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -48.692619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.692619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.692619 (E_RNA) where: Base-Base interactions energy: -18.053 where: short stacking energy: -18.053 Base-Backbone interact. energy: -0.012 local terms energy: -30.628226 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -44.549412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.549412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.549412 (E_RNA) where: Base-Base interactions energy: -16.766 where: short stacking energy: -13.966 Base-Backbone interact. energy: -0.014 local terms energy: -27.769088 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -6.519 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -0.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -41.148087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.148087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.148087 (E_RNA) where: Base-Base interactions energy: -10.345 where: short stacking energy: -10.345 Base-Backbone interact. energy: -0.024 local terms energy: -30.779006 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -1.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -65.727886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.727886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.727886 (E_RNA) where: Base-Base interactions energy: -25.870 where: short stacking energy: -25.870 Base-Backbone interact. energy: -0.001 local terms energy: -39.857533 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -8.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -65.635464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.635464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.635464 (E_RNA) where: Base-Base interactions energy: -33.026 where: short stacking energy: -19.452 Base-Backbone interact. energy: -0.010 local terms energy: -32.599529 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -5.213 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: 3, replica: 9 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -60.671940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.671940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.671940 (E_RNA) where: Base-Base interactions energy: -26.221 where: short stacking energy: -26.221 Base-Backbone interact. energy: -0.087 local terms energy: -34.363555 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -7.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -62.808585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.808585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.808585 (E_RNA) where: Base-Base interactions energy: -24.806 where: short stacking energy: -24.806 Base-Backbone interact. energy: -0.000 local terms energy: -38.002283 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -5.851 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: 5, replica: 4 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -48.360828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.360828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.360828 (E_RNA) where: Base-Base interactions energy: -19.279 where: short stacking energy: -19.279 Base-Backbone interact. energy: -0.001 local terms energy: -29.080301 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -2.330 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: 6, replica: 1 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -48.405735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.405735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.405735 (E_RNA) where: Base-Base interactions energy: -18.043 where: short stacking energy: -15.130 Base-Backbone interact. energy: 0.129 local terms energy: -30.491520 where: bonds (distance) C4'-P energy: -8.867 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.728 flat angles P-C4'-P energy: -6.179 tors. eta vs tors. theta energy: -0.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -51.283608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.283608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.283608 (E_RNA) where: Base-Base interactions energy: -22.814 where: short stacking energy: -17.441 Base-Backbone interact. energy: -0.216 local terms energy: -28.253934 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.636 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -1.732 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: 8, replica: 8 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -46.819154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.819154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.819154 (E_RNA) where: Base-Base interactions energy: -18.321 where: short stacking energy: -15.996 Base-Backbone interact. energy: 0.308 local terms energy: -28.806124 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.355 tors. eta vs tors. theta energy: -1.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -44.160981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.160981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.160981 (E_RNA) where: Base-Base interactions energy: -14.644 where: short stacking energy: -14.644 Base-Backbone interact. energy: 0.711 local terms energy: -30.228267 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -4.121 tors. eta vs tors. theta energy: -1.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -48.266805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.266805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.266805 (E_RNA) where: Base-Base interactions energy: -21.082 where: short stacking energy: -9.633 Base-Backbone interact. energy: -0.019 local terms energy: -27.166224 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.223 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -1.726 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: 1, replica: 10 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -69.341626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.341626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.341626 (E_RNA) where: Base-Base interactions energy: -33.332 where: short stacking energy: -33.332 Base-Backbone interact. energy: -0.000 local terms energy: -36.009106 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -8.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -60.932920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.932920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.932920 (E_RNA) where: Base-Base interactions energy: -28.422 where: short stacking energy: -28.422 Base-Backbone interact. energy: -0.000 local terms energy: -32.510829 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -4.978 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: 3, replica: 3 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -54.746664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.746664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.746664 (E_RNA) where: Base-Base interactions energy: -18.400 where: short stacking energy: -18.400 Base-Backbone interact. energy: -0.000 local terms energy: -36.346659 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -5.871 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: 4, replica: 9 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -54.445446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.445446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.445446 (E_RNA) where: Base-Base interactions energy: -30.073 where: short stacking energy: -27.587 Base-Backbone interact. energy: -0.039 local terms energy: -24.333407 where: bonds (distance) C4'-P energy: -5.059 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.591 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -2.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -56.405489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.405489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.405489 (E_RNA) where: Base-Base interactions energy: -22.153 where: short stacking energy: -22.153 Base-Backbone interact. energy: -0.009 local terms energy: -34.243547 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -8.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -51.680566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.680566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.680566 (E_RNA) where: Base-Base interactions energy: -21.479 where: short stacking energy: -21.479 Base-Backbone interact. energy: -0.093 local terms energy: -30.109409 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -3.539 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: 8 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -41.662810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.662810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.662810 (E_RNA) where: Base-Base interactions energy: -18.536 where: short stacking energy: -12.769 Base-Backbone interact. energy: -0.266 local terms energy: -22.860953 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -6.677 flat angles P-C4'-P energy: -3.484 tors. eta vs tors. theta energy: 1.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -49.372671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.372671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.372671 (E_RNA) where: Base-Base interactions energy: -16.288 where: short stacking energy: -16.288 Base-Backbone interact. energy: -0.019 local terms energy: -33.065045 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -6.329 flat angles P-C4'-P energy: -6.404 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: 9, replica: 7 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -47.858735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.858735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.858735 (E_RNA) where: Base-Base interactions energy: -18.170 where: short stacking energy: -18.170 Base-Backbone interact. energy: -0.077 local terms energy: -29.611717 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.445 flat angles P-C4'-P energy: -4.847 tors. eta vs tors. theta energy: -4.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -47.167202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.167202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.167202 (E_RNA) where: Base-Base interactions energy: -24.607 where: short stacking energy: -19.403 Base-Backbone interact. energy: -0.009 local terms energy: -22.550920 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -4.635 flat angles P-C4'-P energy: -3.187 tors. eta vs tors. theta energy: -0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -72.164992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.164992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.164992 (E_RNA) where: Base-Base interactions energy: -32.572 where: short stacking energy: -32.572 Base-Backbone interact. energy: -0.000 local terms energy: -39.593081 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -4.827 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -11.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -68.279950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.279950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.279950 (E_RNA) where: Base-Base interactions energy: -37.226 where: short stacking energy: -13.571 Base-Backbone interact. energy: -0.083 local terms energy: -30.971011 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.183 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -3.854 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -63.765933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.765933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.765933 (E_RNA) where: Base-Base interactions energy: -27.274 where: short stacking energy: -27.274 Base-Backbone interact. energy: -0.000 local terms energy: -36.491414 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -6.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -52.203418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.203418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.203418 (E_RNA) where: Base-Base interactions energy: -21.815 where: short stacking energy: -21.815 Base-Backbone interact. energy: -0.006 local terms energy: -30.382250 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -3.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -54.983676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.983676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.983676 (E_RNA) where: Base-Base interactions energy: -24.333 where: short stacking energy: -24.333 Base-Backbone interact. energy: -0.020 local terms energy: -30.630287 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -5.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -49.512647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.512647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.512647 (E_RNA) where: Base-Base interactions energy: -20.813 where: short stacking energy: -20.813 Base-Backbone interact. energy: -0.001 local terms energy: -28.697956 where: bonds (distance) C4'-P energy: -3.476 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.534 flat angles P-C4'-P energy: -4.313 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: 7, replica: 4 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -45.062952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.062952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.062952 (E_RNA) where: Base-Base interactions energy: -15.787 where: short stacking energy: -15.787 Base-Backbone interact. energy: -0.096 local terms energy: -29.179713 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -5.184 tors. eta vs tors. theta energy: 0.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -49.829218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.829218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.829218 (E_RNA) where: Base-Base interactions energy: -17.239 where: short stacking energy: -17.239 Base-Backbone interact. energy: -0.000 local terms energy: -32.589970 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.050 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -7.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -45.682429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.682429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.682429 (E_RNA) where: Base-Base interactions energy: -25.942 where: short stacking energy: -15.103 Base-Backbone interact. energy: -0.001 local terms energy: -19.739045 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -1.311 flat angles C4'-P-C4' energy: -5.732 flat angles P-C4'-P energy: -2.680 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -46.447850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.447850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.447850 (E_RNA) where: Base-Base interactions energy: -18.588 where: short stacking energy: -18.588 Base-Backbone interact. energy: -0.066 local terms energy: -27.794237 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.495 flat angles P-C4'-P energy: -5.588 tors. eta vs tors. theta energy: -2.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -75.592727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.592727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.592727 (E_RNA) where: Base-Base interactions energy: -42.959 where: short stacking energy: -22.581 Base-Backbone interact. energy: -0.774 local terms energy: -31.860081 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -58.586925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.586925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.586925 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -25.061 Base-Backbone interact. energy: -0.000 local terms energy: -33.525284 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -8.504 flat angles C4'-P-C4' energy: -9.097 flat angles P-C4'-P energy: -5.600 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: 3, replica: 1 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -62.877423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.877423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.877423 (E_RNA) where: Base-Base interactions energy: -34.382 where: short stacking energy: -34.382 Base-Backbone interact. energy: -0.000 local terms energy: -28.495230 where: bonds (distance) C4'-P energy: -3.605 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -2.056 tors. eta vs tors. theta energy: -7.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -55.508487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.508487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.508487 (E_RNA) where: Base-Base interactions energy: -24.499 where: short stacking energy: -24.487 Base-Backbone interact. energy: -0.022 local terms energy: -30.987418 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -8.088 flat angles P-C4'-P energy: -3.766 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: 5, replica: 8 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -55.624605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.624605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.624605 (E_RNA) where: Base-Base interactions energy: -23.547 where: short stacking energy: -23.547 Base-Backbone interact. energy: -0.090 local terms energy: -31.987535 where: bonds (distance) C4'-P energy: -5.714 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -3.783 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: 6, replica: 9 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -55.735931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.735931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.735931 (E_RNA) where: Base-Base interactions energy: -31.809 where: short stacking energy: -15.771 Base-Backbone interact. energy: -0.291 local terms energy: -23.635474 where: bonds (distance) C4'-P energy: -4.641 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.684 flat angles P-C4'-P energy: -2.951 tors. eta vs tors. theta energy: -0.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -53.763902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.763902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.763902 (E_RNA) where: Base-Base interactions energy: -26.777 where: short stacking energy: -16.569 Base-Backbone interact. energy: -0.004 local terms energy: -26.982866 where: bonds (distance) C4'-P energy: -3.341 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -2.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -39.189069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.189069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.189069 (E_RNA) where: Base-Base interactions energy: -10.802 where: short stacking energy: -9.912 Base-Backbone interact. energy: -0.007 local terms energy: -28.380529 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -5.361 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -55.665530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.665530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.665530 (E_RNA) where: Base-Base interactions energy: -28.951 where: short stacking energy: -14.840 Base-Backbone interact. energy: -0.000 local terms energy: -26.714235 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -5.272 flat angles C4'-P-C4' energy: -7.207 flat angles P-C4'-P energy: -2.602 tors. eta vs tors. theta energy: -3.949 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: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -42.970874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.970874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.970874 (E_RNA) where: Base-Base interactions energy: -14.320 where: short stacking energy: -14.080 Base-Backbone interact. energy: -2.789 local terms energy: -25.861381 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -4.159 flat angles P-C4'-P energy: -5.143 tors. eta vs tors. theta energy: -0.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -74.607080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.607080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.607080 (E_RNA) where: Base-Base interactions energy: -43.892 where: short stacking energy: -17.341 Base-Backbone interact. energy: -0.126 local terms energy: -30.589173 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -3.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -70.151085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.151085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.151085 (E_RNA) where: Base-Base interactions energy: -35.005 where: short stacking energy: -26.571 Base-Backbone interact. energy: -0.003 local terms energy: -35.143554 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -7.186 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: 10 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -53.526001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.526001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.526001 (E_RNA) where: Base-Base interactions energy: -21.962 where: short stacking energy: -21.962 Base-Backbone interact. energy: -0.000 local terms energy: -31.564282 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -5.884 flat angles P-C4'-P energy: -3.448 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: 4, replica: 8 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -59.955083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.955083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.955083 (E_RNA) where: Base-Base interactions energy: -24.244 where: short stacking energy: -24.244 Base-Backbone interact. energy: -0.093 local terms energy: -35.617731 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.371 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -6.519 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: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -56.666621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.666621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.666621 (E_RNA) where: Base-Base interactions energy: -22.568 where: short stacking energy: -21.473 Base-Backbone interact. energy: -0.179 local terms energy: -33.919876 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -8.356 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -4.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -62.653793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.653793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.653793 (E_RNA) where: Base-Base interactions energy: -26.615 where: short stacking energy: -26.615 Base-Backbone interact. energy: -0.000 local terms energy: -36.038789 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -5.852 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -5.782 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: 7, replica: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -43.746600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.746600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.746600 (E_RNA) where: Base-Base interactions energy: -17.975 where: short stacking energy: -11.688 Base-Backbone interact. energy: -0.383 local terms energy: -25.388903 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -1.060 tors. eta vs tors. theta energy: -1.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -51.295712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.295712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.295712 (E_RNA) where: Base-Base interactions energy: -17.527 where: short stacking energy: -17.527 Base-Backbone interact. energy: -0.000 local terms energy: -33.768195 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -46.319094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.319094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.319094 (E_RNA) where: Base-Base interactions energy: -15.847 where: short stacking energy: -15.847 Base-Backbone interact. energy: -0.091 local terms energy: -30.381864 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -2.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -44.939394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.939394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.939394 (E_RNA) where: Base-Base interactions energy: -18.200 where: short stacking energy: -18.200 Base-Backbone interact. energy: -0.036 local terms energy: -26.702776 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -3.917 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -3.804 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: 1, replica: 1 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -73.312619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.312619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.312619 (E_RNA) where: Base-Base interactions energy: -34.518 where: short stacking energy: -29.367 Base-Backbone interact. energy: -0.000 local terms energy: -38.794027 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -5.990 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: 2, replica: 6 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -61.172883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.172883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.172883 (E_RNA) where: Base-Base interactions energy: -28.503 where: short stacking energy: -28.503 Base-Backbone interact. energy: -0.017 local terms energy: -32.652698 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -6.211 tors. eta vs tors. theta energy: -6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -56.708567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.708567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.708567 (E_RNA) where: Base-Base interactions energy: -23.484 where: short stacking energy: -23.484 Base-Backbone interact. energy: -0.000 local terms energy: -33.224384 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.003 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: 4, replica: 10 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -50.482181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.482181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.482181 (E_RNA) where: Base-Base interactions energy: -20.275 where: short stacking energy: -20.275 Base-Backbone interact. energy: -0.001 local terms energy: -30.206005 where: bonds (distance) C4'-P energy: -7.213 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -2.496 tors. eta vs tors. theta energy: -3.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -56.858042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.858042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.858042 (E_RNA) where: Base-Base interactions energy: -22.376 where: short stacking energy: -22.376 Base-Backbone interact. energy: -0.018 local terms energy: -34.464148 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -2.769 tors. eta vs tors. theta energy: -8.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -50.303301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.303301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.303301 (E_RNA) where: Base-Base interactions energy: -17.580 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.000 local terms energy: -32.723386 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -3.883 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: 5 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -47.218279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.218279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.218279 (E_RNA) where: Base-Base interactions energy: -18.559 where: short stacking energy: -18.559 Base-Backbone interact. energy: -0.001 local terms energy: -28.658740 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -3.502 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: 8, replica: 9 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -44.009241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.009241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.009241 (E_RNA) where: Base-Base interactions energy: -15.614 where: short stacking energy: -13.476 Base-Backbone interact. energy: -0.002 local terms energy: -28.393153 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -3.625 tors. eta vs tors. theta energy: -0.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -42.320790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.320790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.320790 (E_RNA) where: Base-Base interactions energy: -15.085 where: short stacking energy: -15.085 Base-Backbone interact. energy: -0.086 local terms energy: -27.150234 where: bonds (distance) C4'-P energy: -5.676 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -1.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -46.527535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.527535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.527535 (E_RNA) where: Base-Base interactions energy: -18.555 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.002 local terms energy: -27.971242 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -3.777 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -3.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -66.103835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.103835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.103835 (E_RNA) where: Base-Base interactions energy: -28.352 where: short stacking energy: -26.714 Base-Backbone interact. energy: -0.004 local terms energy: -37.748325 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -8.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -71.985417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.985417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.985417 (E_RNA) where: Base-Base interactions energy: -33.821 where: short stacking energy: -22.641 Base-Backbone interact. energy: 0.232 local terms energy: -38.396799 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -9.195 flat angles P-C4'-P energy: -6.281 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: 3, replica: 6 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -53.485870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.485870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.485870 (E_RNA) where: Base-Base interactions energy: -24.453 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.059 local terms energy: -28.974331 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -6.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -55.240471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.240471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.240471 (E_RNA) where: Base-Base interactions energy: -24.899 where: short stacking energy: -24.899 Base-Backbone interact. energy: -0.058 local terms energy: -30.283842 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -3.773 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: 10 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -61.371838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.371838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.371838 (E_RNA) where: Base-Base interactions energy: -28.650 where: short stacking energy: -16.189 Base-Backbone interact. energy: -0.007 local terms energy: -32.715054 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -5.574 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -66.509278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.509278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.509278 (E_RNA) where: Base-Base interactions energy: -28.061 where: short stacking energy: -27.660 Base-Backbone interact. energy: -0.057 local terms energy: -38.391400 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.970 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -8.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -55.473807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.473807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.473807 (E_RNA) where: Base-Base interactions energy: -23.476 where: short stacking energy: -22.510 Base-Backbone interact. energy: -0.100 local terms energy: -31.897322 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -6.662 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: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -44.771513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.771513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.771513 (E_RNA) where: Base-Base interactions energy: -19.752 where: short stacking energy: -19.752 Base-Backbone interact. energy: -0.060 local terms energy: -24.958775 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -5.416 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: 9, replica: 9 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -44.081144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.081144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.081144 (E_RNA) where: Base-Base interactions energy: -14.806 where: short stacking energy: -14.806 Base-Backbone interact. energy: -0.001 local terms energy: -29.274684 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -4.627 tors. eta vs tors. theta energy: -2.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -39.263575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.263575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.263575 (E_RNA) where: Base-Base interactions energy: -14.640 where: short stacking energy: -14.640 Base-Backbone interact. energy: -0.097 local terms energy: -24.526326 where: bonds (distance) C4'-P energy: -4.814 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -6.254 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -5.433 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: 8 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -69.097794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.097794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.097794 (E_RNA) where: Base-Base interactions energy: -34.956 where: short stacking energy: -26.385 Base-Backbone interact. energy: -0.004 local terms energy: -34.138088 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -4.256 tors. eta vs tors. theta energy: -5.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -66.375338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.375338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.375338 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -28.760 Base-Backbone interact. energy: -0.000 local terms energy: -37.256192 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -63.800291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.800291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.800291 (E_RNA) where: Base-Base interactions energy: -29.737 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.000 local terms energy: -34.062830 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.652 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -8.657 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: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -58.624448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.624448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.624448 (E_RNA) where: Base-Base interactions energy: -25.266 where: short stacking energy: -25.266 Base-Backbone interact. energy: -0.001 local terms energy: -33.357492 where: bonds (distance) C4'-P energy: -5.457 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -6.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -54.193662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.193662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.193662 (E_RNA) where: Base-Base interactions energy: -29.203 where: short stacking energy: -15.984 Base-Backbone interact. energy: 0.398 local terms energy: -25.388063 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -5.927 tors. eta vs tors. theta energy: 0.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -50.958606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.958606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.958606 (E_RNA) where: Base-Base interactions energy: -18.178 where: short stacking energy: -18.178 Base-Backbone interact. energy: -0.007 local terms energy: -32.773892 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -5.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -44.869073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.869073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.869073 (E_RNA) where: Base-Base interactions energy: -17.753 where: short stacking energy: -17.753 Base-Backbone interact. energy: -0.137 local terms energy: -26.978603 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -7.514 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -3.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -49.221841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.221841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.221841 (E_RNA) where: Base-Base interactions energy: -24.112 where: short stacking energy: -23.754 Base-Backbone interact. energy: -0.001 local terms energy: -25.108317 where: bonds (distance) C4'-P energy: -4.760 bonds (distance) P-C4' energy: -3.821 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -2.579 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: 7 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -45.337230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.337230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.337230 (E_RNA) where: Base-Base interactions energy: -20.436 where: short stacking energy: -12.528 Base-Backbone interact. energy: -0.012 local terms energy: -24.888482 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -6.150 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -44.421115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.421115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.421115 (E_RNA) where: Base-Base interactions energy: -14.098 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.001 local terms energy: -30.322283 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.577 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -4.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -78.011827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.011827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.011827 (E_RNA) where: Base-Base interactions energy: -43.239 where: short stacking energy: -30.731 Base-Backbone interact. energy: -0.092 local terms energy: -34.681260 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -60.728734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.728734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.728734 (E_RNA) where: Base-Base interactions energy: -25.339 where: short stacking energy: -25.339 Base-Backbone interact. energy: -0.009 local terms energy: -35.380134 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -8.027 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -5.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -53.364060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.364060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.364060 (E_RNA) where: Base-Base interactions energy: -21.717 where: short stacking energy: -21.717 Base-Backbone interact. energy: -0.000 local terms energy: -31.647393 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -5.797 tors. eta vs tors. theta energy: -2.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -51.403184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.403184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.403184 (E_RNA) where: Base-Base interactions energy: -21.443 where: short stacking energy: -21.443 Base-Backbone interact. energy: -0.006 local terms energy: -29.953413 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -7.996 flat angles P-C4'-P energy: -5.064 tors. eta vs tors. theta energy: -5.233 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: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -55.096738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.096738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.096738 (E_RNA) where: Base-Base interactions energy: -29.996 where: short stacking energy: -21.579 Base-Backbone interact. energy: -0.002 local terms energy: -25.098732 where: bonds (distance) C4'-P energy: -3.449 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.083 flat angles P-C4'-P energy: -3.938 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: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -45.984575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.984575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.984575 (E_RNA) where: Base-Base interactions energy: -20.162 where: short stacking energy: -15.041 Base-Backbone interact. energy: -0.031 local terms energy: -25.790949 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -6.563 flat angles C4'-P-C4' energy: -6.744 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -2.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -45.651232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.651232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.651232 (E_RNA) where: Base-Base interactions energy: -19.639 where: short stacking energy: -16.725 Base-Backbone interact. energy: -0.019 local terms energy: -25.994029 where: bonds (distance) C4'-P energy: -4.111 bonds (distance) P-C4' energy: -7.658 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -0.148 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: 8, replica: 7 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -45.223030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.223030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.223030 (E_RNA) where: Base-Base interactions energy: -17.676 where: short stacking energy: -17.676 Base-Backbone interact. energy: -0.052 local terms energy: -27.494394 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -2.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -47.394830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.394830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.394830 (E_RNA) where: Base-Base interactions energy: -26.167 where: short stacking energy: -17.759 Base-Backbone interact. energy: -0.012 local terms energy: -21.215787 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -5.874 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: 0.877 tors. eta vs tors. theta energy: -2.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -43.238432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.238432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.238432 (E_RNA) where: Base-Base interactions energy: -13.583 where: short stacking energy: -13.304 Base-Backbone interact. energy: -0.002 local terms energy: -29.653815 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -4.410 flat angles P-C4'-P energy: -6.522 tors. eta vs tors. theta energy: -4.141 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: 1, replica: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -68.024375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.024375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.024375 (E_RNA) where: Base-Base interactions energy: -34.274 where: short stacking energy: -34.274 Base-Backbone interact. energy: 1.849 local terms energy: -35.599477 where: bonds (distance) C4'-P energy: -6.521 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.893 flat angles P-C4'-P energy: -4.872 tors. eta vs tors. theta energy: -7.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -79.910382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.910382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.910382 (E_RNA) where: Base-Base interactions energy: -43.774 where: short stacking energy: -29.526 Base-Backbone interact. energy: -2.634 local terms energy: -33.502390 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -4.220 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: 3, replica: 5 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -64.725155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.725155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.725155 (E_RNA) where: Base-Base interactions energy: -29.879 where: short stacking energy: -29.879 Base-Backbone interact. energy: -0.000 local terms energy: -34.846240 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -5.325 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: 1 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -61.832300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.832300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.832300 (E_RNA) where: Base-Base interactions energy: -30.115 where: short stacking energy: -19.975 Base-Backbone interact. energy: -0.062 local terms energy: -31.654816 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -3.769 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: 5, replica: 2 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -49.346598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.346598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.346598 (E_RNA) where: Base-Base interactions energy: -19.991 where: short stacking energy: -13.100 Base-Backbone interact. energy: -0.005 local terms energy: -29.350549 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.437 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: 6, replica: 6 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -57.332909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.332909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.332909 (E_RNA) where: Base-Base interactions energy: -24.170 where: short stacking energy: -23.641 Base-Backbone interact. energy: -0.000 local terms energy: -33.162301 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -4.585 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: 7, replica: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -48.630875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.630875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.630875 (E_RNA) where: Base-Base interactions energy: -25.036 where: short stacking energy: -16.275 Base-Backbone interact. energy: -0.086 local terms energy: -23.508557 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.428 flat angles C4'-P-C4' energy: -4.183 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -46.627365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627365 (E_RNA) where: Base-Base interactions energy: -23.256 where: short stacking energy: -23.256 Base-Backbone interact. energy: -0.002 local terms energy: -23.369589 where: bonds (distance) C4'-P energy: -6.259 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -4.034 flat angles P-C4'-P energy: -3.718 tors. eta vs tors. theta energy: -2.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -43.469954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.469954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.469954 (E_RNA) where: Base-Base interactions energy: -21.904 where: short stacking energy: -21.904 Base-Backbone interact. energy: -0.003 local terms energy: -21.562794 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -1.766 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -5.101 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: 3 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -44.858479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.858479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.858479 (E_RNA) where: Base-Base interactions energy: -13.489 where: short stacking energy: -11.912 Base-Backbone interact. energy: -0.039 local terms energy: -31.330211 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -1.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -70.889312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.889312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.889312 (E_RNA) where: Base-Base interactions energy: -35.923 where: short stacking energy: -26.580 Base-Backbone interact. energy: -0.004 local terms energy: -34.962683 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.071 flat angles P-C4'-P energy: -4.050 tors. eta vs tors. theta energy: -7.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -73.052465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.052465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.052465 (E_RNA) where: Base-Base interactions energy: -42.402 where: short stacking energy: -29.730 Base-Backbone interact. energy: 0.500 local terms energy: -31.149718 where: bonds (distance) C4'-P energy: -4.255 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -6.201 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: 3, replica: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -71.953804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.953804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.953804 (E_RNA) where: Base-Base interactions energy: -37.515 where: short stacking energy: -17.650 Base-Backbone interact. energy: 0.249 local terms energy: -34.686957 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -8.500 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -5.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -53.180760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.180760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.180760 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -21.037 Base-Backbone interact. energy: -0.001 local terms energy: -32.143648 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -4.986 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -57.083038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.083038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.083038 (E_RNA) where: Base-Base interactions energy: -22.220 where: short stacking energy: -18.502 Base-Backbone interact. energy: -0.000 local terms energy: -34.862349 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -8.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -52.322116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.322116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.322116 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -14.569 Base-Backbone interact. energy: -0.168 local terms energy: -28.837563 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -9.063 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -48.675587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.675587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.675587 (E_RNA) where: Base-Base interactions energy: -21.131 where: short stacking energy: -19.751 Base-Backbone interact. energy: 0.890 local terms energy: -28.433819 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -6.021 flat angles P-C4'-P energy: -2.074 tors. eta vs tors. theta energy: -5.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -43.524416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.524416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.524416 (E_RNA) where: Base-Base interactions energy: -15.406 where: short stacking energy: -14.841 Base-Backbone interact. energy: -0.001 local terms energy: -28.117367 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -2.149 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -43.900821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.900821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.900821 (E_RNA) where: Base-Base interactions energy: -17.632 where: short stacking energy: -13.433 Base-Backbone interact. energy: -0.023 local terms energy: -26.245594 where: bonds (distance) C4'-P energy: -7.278 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: 1.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -42.749823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.749823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.749823 (E_RNA) where: Base-Base interactions energy: -16.218 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.299 local terms energy: -26.233375 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -6.945 flat angles P-C4'-P energy: -3.073 tors. eta vs tors. theta energy: -4.815 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) out arg RESULTS//1/BYH-ab1755c6_01 DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -79.947531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.947531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.947531 (E_RNA) where: Base-Base interactions energy: -47.298 where: short stacking energy: -32.760 Base-Backbone interact. energy: 0.144 local terms energy: -32.793538 where: bonds (distance) C4'-P energy: -6.059 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -6.942 flat angles P-C4'-P energy: -5.667 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: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -54.333819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.333819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.333819 (E_RNA) where: Base-Base interactions energy: -22.395 where: short stacking energy: -18.044 Base-Backbone interact. energy: -0.202 local terms energy: -31.737192 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -5.955 flat angles P-C4'-P energy: -5.618 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: 3, replica: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -68.014580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.014580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.014580 (E_RNA) where: Base-Base interactions energy: -32.368 where: short stacking energy: -15.244 Base-Backbone interact. energy: -0.000 local terms energy: -35.645965 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -3.307 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: 4, replica: 2 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -54.614676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.614676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.614676 (E_RNA) where: Base-Base interactions energy: -21.450 where: short stacking energy: -21.450 Base-Backbone interact. energy: -0.000 local terms energy: -33.163904 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -5.668 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -8.251 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: 10 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -62.590175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.590175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.590175 (E_RNA) where: Base-Base interactions energy: -29.156 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.011 local terms energy: -33.423184 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -50.873400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.873400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.873400 (E_RNA) where: Base-Base interactions energy: -15.457 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.029 local terms energy: -35.387668 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -4.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -48.264436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.264436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.264436 (E_RNA) where: Base-Base interactions energy: -16.890 where: short stacking energy: -15.370 Base-Backbone interact. energy: -0.089 local terms energy: -31.285707 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -3.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -43.662856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.662856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.662856 (E_RNA) where: Base-Base interactions energy: -16.457 where: short stacking energy: -16.457 Base-Backbone interact. energy: -0.012 local terms energy: -27.193903 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -6.902 flat angles P-C4'-P energy: -4.439 tors. eta vs tors. theta energy: -2.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -37.915718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.915718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.915718 (E_RNA) where: Base-Base interactions energy: -9.279 where: short stacking energy: -9.279 Base-Backbone interact. energy: -0.098 local terms energy: -28.538638 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -7.423 tors. eta vs tors. theta energy: -1.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -38.692415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.692415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.692415 (E_RNA) where: Base-Base interactions energy: -14.322 where: short stacking energy: -14.322 Base-Backbone interact. energy: -0.001 local terms energy: -24.369255 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -2.209 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 5 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -79.013822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.013822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.013822 (E_RNA) where: Base-Base interactions energy: -43.062 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.004 local terms energy: -35.947859 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -4.259 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: 8 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -73.572697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.572697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.572697 (E_RNA) where: Base-Base interactions energy: -37.603 where: short stacking energy: -26.877 Base-Backbone interact. energy: -0.016 local terms energy: -35.954228 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -4.912 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: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -57.694527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.694527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.694527 (E_RNA) where: Base-Base interactions energy: -23.431 where: short stacking energy: -23.431 Base-Backbone interact. energy: -0.013 local terms energy: -34.250577 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.200 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -5.145 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: 10 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -54.400285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.400285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.400285 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.100 local terms energy: -34.470039 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -4.211 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -52.409583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.409583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.409583 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -20.233 Base-Backbone interact. energy: -0.001 local terms energy: -32.175530 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -6.315 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: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -46.102761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.102761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.102761 (E_RNA) where: Base-Base interactions energy: -17.734 where: short stacking energy: -12.809 Base-Backbone interact. energy: -0.132 local terms energy: -28.236928 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -1.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -42.086632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.086632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.086632 (E_RNA) where: Base-Base interactions energy: -18.026 where: short stacking energy: -18.026 Base-Backbone interact. energy: -0.059 local terms energy: -24.001352 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -4.614 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -4.429 tors. eta vs tors. theta energy: -2.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -43.657201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657201 (E_RNA) where: Base-Base interactions energy: -15.000 where: short stacking energy: -14.732 Base-Backbone interact. energy: -0.047 local terms energy: -28.610799 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -2.499 tors. eta vs tors. theta energy: -4.294 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: 6 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -40.700597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.700597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.700597 (E_RNA) where: Base-Base interactions energy: -18.194 where: short stacking energy: -17.815 Base-Backbone interact. energy: -0.163 local terms energy: -22.343896 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -4.203 flat angles P-C4'-P energy: -1.644 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: 10, replica: 3 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -40.764730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.764730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.764730 (E_RNA) where: Base-Base interactions energy: -21.630 where: short stacking energy: -18.380 Base-Backbone interact. energy: -0.093 local terms energy: -19.041912 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -2.568 flat angles P-C4'-P energy: -0.746 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) 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: 498 Temperature: 0.900000 Total energy: -64.981552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.981552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.981552 (E_RNA) where: Base-Base interactions energy: -27.300 where: short stacking energy: -27.300 Base-Backbone interact. energy: -0.000 local terms energy: -37.681295 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.136 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -67.510132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.510132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.510132 (E_RNA) where: Base-Base interactions energy: -32.926 where: short stacking energy: -30.218 Base-Backbone interact. energy: -0.035 local terms energy: -34.548401 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.357 flat angles P-C4'-P energy: -5.304 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: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -64.603000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.603000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.603000 (E_RNA) where: Base-Base interactions energy: -28.338 where: short stacking energy: -28.338 Base-Backbone interact. energy: -0.000 local terms energy: -36.265333 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -5.904 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: 10 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -58.089296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.089296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.089296 (E_RNA) where: Base-Base interactions energy: -23.325 where: short stacking energy: -23.325 Base-Backbone interact. energy: -0.001 local terms energy: -34.763249 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -7.610 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -6.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -41.880012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.880012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.880012 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -12.503 Base-Backbone interact. energy: -0.648 local terms energy: -28.589801 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.105 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -6.223 tors. eta vs tors. theta energy: -0.490 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: 498 Temperature: 1.150000 Total energy: -47.368425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.368425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.368425 (E_RNA) where: Base-Base interactions energy: -14.357 where: short stacking energy: -14.357 Base-Backbone interact. energy: -0.012 local terms energy: -32.999898 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -49.731098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.731098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.731098 (E_RNA) where: Base-Base interactions energy: -15.862 where: short stacking energy: -15.862 Base-Backbone interact. energy: -0.000 local terms energy: -33.868624 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -5.990 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: 8, replica: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -41.458656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.458656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.458656 (E_RNA) where: Base-Base interactions energy: -11.514 where: short stacking energy: -11.214 Base-Backbone interact. energy: -0.100 local terms energy: -29.844857 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -2.824 tors. eta vs tors. theta energy: -1.778 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: 9, replica: 3 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -52.235554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.235554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.235554 (E_RNA) where: Base-Base interactions energy: -19.114 where: short stacking energy: -19.114 Base-Backbone interact. energy: -0.079 local terms energy: -33.042059 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.817 tors. eta vs tors. theta energy: -6.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -42.319932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.319932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.319932 (E_RNA) where: Base-Base interactions energy: -17.715 where: short stacking energy: -13.805 Base-Backbone interact. energy: -0.029 local terms energy: -24.576322 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.012 tors. eta vs tors. theta energy: -0.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) 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: 499 Temperature: 0.900000 Total energy: -72.419613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.419613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.419613 (E_RNA) where: Base-Base interactions energy: -33.653 where: short stacking energy: -33.653 Base-Backbone interact. energy: -0.000 local terms energy: -38.767044 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -9.962 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: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -78.228926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.228926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.228926 (E_RNA) where: Base-Base interactions energy: -43.643 where: short stacking energy: -35.144 Base-Backbone interact. energy: -0.096 local terms energy: -34.489366 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -3.633 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: 3, replica: 4 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -60.960436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.960436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.960436 (E_RNA) where: Base-Base interactions energy: -27.247 where: short stacking energy: -27.247 Base-Backbone interact. energy: -0.038 local terms energy: -33.675175 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.488 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: 9 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -54.256099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.256099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.256099 (E_RNA) where: Base-Base interactions energy: -21.091 where: short stacking energy: -21.091 Base-Backbone interact. energy: -0.097 local terms energy: -33.068872 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -6.068 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: 5, replica: 10 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -62.638202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.638202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.638202 (E_RNA) where: Base-Base interactions energy: -30.267 where: short stacking energy: -17.854 Base-Backbone interact. energy: -0.004 local terms energy: -32.367373 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.329 flat angles P-C4'-P energy: -5.872 tors. eta vs tors. theta energy: -2.736 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: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -51.892489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.892489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.892489 (E_RNA) where: Base-Base interactions energy: -20.008 where: short stacking energy: -20.008 Base-Backbone interact. energy: -0.002 local terms energy: -31.882110 where: bonds (distance) C4'-P energy: -4.387 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -4.092 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: 499 Temperature: 1.200000 Total energy: -53.836500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.836500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.836500 (E_RNA) where: Base-Base interactions energy: -24.410 where: short stacking energy: -24.410 Base-Backbone interact. energy: -0.000 local terms energy: -29.426365 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -5.410 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.679 tors. eta vs tors. theta energy: -5.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -48.790333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.790333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.790333 (E_RNA) where: Base-Base interactions energy: -19.932 where: short stacking energy: -18.791 Base-Backbone interact. energy: -0.000 local terms energy: -28.857950 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -1.095 tors. eta vs tors. theta energy: -3.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -41.633149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.633149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.633149 (E_RNA) where: Base-Base interactions energy: -15.805 where: short stacking energy: -15.805 Base-Backbone interact. energy: -0.007 local terms energy: -25.820877 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -3.096 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -3.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -40.134969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.134969 (E_RNA) where: Base-Base interactions energy: -12.689 where: short stacking energy: -12.689 Base-Backbone interact. energy: -0.011 local terms energy: -27.434826 where: bonds (distance) C4'-P energy: -6.628 bonds (distance) P-C4' energy: -5.628 flat angles C4'-P-C4' energy: -3.889 flat angles P-C4'-P energy: -5.584 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) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -69.665776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.665776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.665776 (E_RNA) where: Base-Base interactions energy: -35.004 where: short stacking energy: -23.912 Base-Backbone interact. energy: -0.000 local terms energy: -34.661691 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -6.330 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: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -71.981105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.981105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.981105 (E_RNA) where: Base-Base interactions energy: -37.105 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.002 local terms energy: -34.874556 where: bonds (distance) C4'-P energy: -7.344 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -7.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -58.373119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.373119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.373119 (E_RNA) where: Base-Base interactions energy: -21.232 where: short stacking energy: -20.113 Base-Backbone interact. energy: -0.000 local terms energy: -37.140614 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -6.621 tors. eta vs tors. theta energy: -6.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -54.237271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.237271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.237271 (E_RNA) where: Base-Base interactions energy: -22.055 where: short stacking energy: -14.490 Base-Backbone interact. energy: -0.002 local terms energy: -32.179727 where: bonds (distance) C4'-P energy: -6.731 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -2.606 tors. eta vs tors. theta energy: -4.218 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: 500 Temperature: 1.100000 Total energy: -58.084018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.084018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.084018 (E_RNA) where: Base-Base interactions energy: -24.740 where: short stacking energy: -24.740 Base-Backbone interact. energy: -0.000 local terms energy: -33.343564 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -5.808 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: 6, replica: 10 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -50.092455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.092455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.092455 (E_RNA) where: Base-Base interactions energy: -21.847 where: short stacking energy: -21.847 Base-Backbone interact. energy: -0.001 local terms energy: -28.244735 where: bonds (distance) C4'-P energy: -5.362 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -2.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -48.712857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.712857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.712857 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -19.532 Base-Backbone interact. energy: -0.015 local terms energy: -28.991306 where: bonds (distance) C4'-P energy: -4.496 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -6.815 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: 8, replica: 7 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -52.802030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.802030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.802030 (E_RNA) where: Base-Base interactions energy: -21.771 where: short stacking energy: -21.771 Base-Backbone interact. energy: -0.015 local terms energy: -31.015738 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -47.297445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.297445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.297445 (E_RNA) where: Base-Base interactions energy: -18.039 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.010 local terms energy: -29.248727 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -4.862 tors. eta vs tors. theta energy: -2.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -46.645088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.645088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.645088 (E_RNA) where: Base-Base interactions energy: -16.585 where: short stacking energy: -12.094 Base-Backbone interact. energy: -0.206 local terms energy: -29.853950 where: bonds (distance) C4'-P energy: -7.722 bonds (distance) P-C4' energy: -5.384 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -1.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE ================================== temp. level: 1, replica: 8 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -66.918680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.918680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.918680 (E_RNA) where: Base-Base interactions energy: -31.106 where: short stacking energy: -20.832 Base-Backbone interact. energy: -2.588 local terms energy: -33.225214 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -3.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -70.086553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.086553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.086553 (E_RNA) where: Base-Base interactions energy: -35.188 where: short stacking energy: -19.478 Base-Backbone interact. energy: -0.740 local terms energy: -34.159213 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.984 flat angles P-C4'-P energy: -4.441 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -54.192522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.192522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.192522 (E_RNA) where: Base-Base interactions energy: -23.309 where: short stacking energy: -23.309 Base-Backbone interact. energy: -0.001 local terms energy: -30.882056 where: bonds (distance) C4'-P energy: -5.250 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -5.627 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: 4, replica: 2 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -51.485279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.485279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.485279 (E_RNA) where: Base-Base interactions energy: -21.696 where: short stacking energy: -21.696 Base-Backbone interact. energy: -0.099 local terms energy: -29.690652 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -3.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -62.888218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.888218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.888218 (E_RNA) where: Base-Base interactions energy: -29.441 where: short stacking energy: -14.683 Base-Backbone interact. energy: -0.103 local terms energy: -33.344231 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.862 flat angles P-C4'-P energy: -5.751 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: 6, replica: 3 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -51.686595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.686595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.686595 (E_RNA) where: Base-Base interactions energy: -21.682 where: short stacking energy: -21.682 Base-Backbone interact. energy: -0.000 local terms energy: -30.004709 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.095 flat angles C4'-P-C4' energy: -5.287 flat angles P-C4'-P energy: -5.000 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: 7, replica: 10 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -49.084040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.084040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.084040 (E_RNA) where: Base-Base interactions energy: -19.387 where: short stacking energy: -19.387 Base-Backbone interact. energy: -0.028 local terms energy: -29.669220 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -5.556 tors. eta vs tors. theta energy: -0.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -49.055086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.055086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.055086 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.001 local terms energy: -30.120080 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -8.607 flat angles C4'-P-C4' energy: -7.005 flat angles P-C4'-P energy: -2.899 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: 9, replica: 7 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -41.498091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.498091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.498091 (E_RNA) where: Base-Base interactions energy: -11.287 where: short stacking energy: -11.287 Base-Backbone interact. energy: -0.009 local terms energy: -30.202378 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -4.565 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -40.437454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.437454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.437454 (E_RNA) where: Base-Base interactions energy: -11.467 where: short stacking energy: -10.303 Base-Backbone interact. energy: -0.003 local terms energy: -28.967311 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -6.880 flat angles P-C4'-P energy: -4.019 tors. eta vs tors. theta energy: -4.375 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) replica 5 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11894374 moves confirmed later: 14775633 all moves confirmed: 26670007 percent of confirmed moves: 3.333751 current total energy: -54.652069 recalc. total energy: -54.652069 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11883305 moves confirmed later: 14759900 all moves confirmed: 26643205 percent of confirmed moves: 3.330401 current total energy: -42.345578 recalc. total energy: -42.345578 replica 2 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11661925 moves confirmed later: 14417851 all moves confirmed: 26079776 percent of confirmed moves: 3.259972 current total energy: -28.759234 recalc. total energy: -28.759234 replica 4 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11634142 moves confirmed later: 14366865 all moves confirmed: 26001007 percent of confirmed moves: 3.250126 current total energy: -42.493893 recalc. total energy: -42.493893 replica 9 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11741084 moves confirmed later: 14529717 all moves confirmed: 26270801 percent of confirmed moves: 3.283850 current total energy: -51.844472 recalc. total energy: -51.844472 replica 3 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 12080596 moves confirmed later: 15055319 all moves confirmed: 27135915 percent of confirmed moves: 3.391989 current total energy: -16.424250 recalc. total energy: -16.424250 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11834941 moves confirmed later: 14676891 all moves confirmed: 26511832 percent of confirmed moves: 3.313979 current total energy: -14.000063 recalc. total energy: -14.000063 replica 10 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11741310 moves confirmed later: 14528862 all moves confirmed: 26270172 percent of confirmed moves: 3.283771 current total energy: -17.540591 recalc. total energy: -17.540591 replica 1 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11643187 moves confirmed later: 14381299 all moves confirmed: 26024486 percent of confirmed moves: 3.253061 current total energy: -6.112792 recalc. total energy: -6.112792 replica 7 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 12253559 moves confirmed later: 15319201 all moves confirmed: 27572760 percent of confirmed moves: 3.446595 current total energy: -24.850886 recalc. total energy: -24.850886 Time of doing 8000000 iterations: 541.223 seconds