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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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/RNA-BYH-81c2b68e/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/RNA-BYH-81c2b68e/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 RNAStructure::secondStrcWeight = 1.000000 chain: 1: _.........._ RNAStructure::tertiaryStrcWeight = 1.000000 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: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -56.705630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.705630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.705630 (E_RNA) where: Base-Base interactions energy: -22.023 where: short stacking energy: -22.023 Base-Backbone interact. energy: -0.000 local terms energy: -34.682466 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -48.034895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.034895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.034895 (E_RNA) where: Base-Base interactions energy: -18.806 where: short stacking energy: -18.806 Base-Backbone interact. energy: -0.100 local terms energy: -29.128667 where: bonds (distance) C4'-P energy: -6.140 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 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: 5 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -54.642744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.642744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.642744 (E_RNA) where: Base-Base interactions energy: -24.703 where: short stacking energy: -22.982 Base-Backbone interact. energy: -0.072 local terms energy: -29.867597 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.222 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -3.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -47.611350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.611350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.611350 (E_RNA) where: Base-Base interactions energy: -20.460 where: short stacking energy: -20.460 Base-Backbone interact. energy: -0.225 local terms energy: -26.925884 where: bonds (distance) C4'-P energy: -6.342 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.662 flat angles P-C4'-P energy: -2.403 tors. eta vs tors. theta energy: -1.351 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: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -47.277307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.277307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.277307 (E_RNA) where: Base-Base interactions energy: -16.669 where: short stacking energy: -16.669 Base-Backbone interact. energy: -0.097 local terms energy: -30.511445 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 5 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -59.691444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.691444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.691444 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -22.852 Base-Backbone interact. energy: -0.493 local terms energy: -36.346281 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -5.863 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: 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: 2 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -61.858218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.858218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.858218 (E_RNA) where: Base-Base interactions energy: -32.012 where: short stacking energy: -15.299 Base-Backbone interact. energy: -0.004 local terms energy: -29.841866 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -2.326 tors. eta vs tors. theta energy: -3.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -54.096167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.096167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.096167 (E_RNA) where: Base-Base interactions energy: -21.803 where: short stacking energy: -20.803 Base-Backbone interact. energy: -0.287 local terms energy: -32.006578 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.006 flat angles P-C4'-P energy: -5.539 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: 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: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -57.748620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.748620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.748620 (E_RNA) where: Base-Base interactions energy: -30.202 where: short stacking energy: -19.551 Base-Backbone interact. energy: 0.880 local terms energy: -28.426511 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -4.199 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -4.861 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: 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: 5 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -64.191096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.191096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.191096 (E_RNA) where: Base-Base interactions energy: -29.728 where: short stacking energy: -29.153 Base-Backbone interact. energy: -0.000 local terms energy: -34.463150 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.706 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: 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: 2 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -53.473292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.473292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.473292 (E_RNA) where: Base-Base interactions energy: -22.542 where: short stacking energy: -18.768 Base-Backbone interact. energy: -0.329 local terms energy: -30.601893 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -8.516 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -48.317753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.317753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.317753 (E_RNA) where: Base-Base interactions energy: -17.605 where: short stacking energy: -17.605 Base-Backbone interact. energy: -0.002 local terms energy: -30.710982 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.280 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -5.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -46.648243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.648243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.648243 (E_RNA) where: Base-Base interactions energy: -18.605 where: short stacking energy: -18.605 Base-Backbone interact. energy: 0.929 local terms energy: -28.972091 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.711 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 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: 5 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -74.732030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.732030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.732030 (E_RNA) where: Base-Base interactions energy: -33.775 where: short stacking energy: -33.775 Base-Backbone interact. energy: -0.000 local terms energy: -40.957335 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -11.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -69.146170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.146170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.146170 (E_RNA) where: Base-Base interactions energy: -33.756 where: short stacking energy: -33.756 Base-Backbone interact. energy: -0.000 local terms energy: -35.389980 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -6.683 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -6.092 tors. eta vs tors. theta energy: -8.700 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: 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: 6 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -51.467065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.467065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.467065 (E_RNA) where: Base-Base interactions energy: -17.066 where: short stacking energy: -17.066 Base-Backbone interact. energy: -0.000 local terms energy: -34.401322 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -3.670 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: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -45.844883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.844883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.844883 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -20.384 Base-Backbone interact. energy: -0.005 local terms energy: -24.339029 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -3.199 flat angles P-C4'-P energy: -3.110 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: 7 Temperature: 1.250000 Total energy: -43.150820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.150820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.150820 (E_RNA) where: Base-Base interactions energy: -13.304 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.053 local terms energy: -29.794573 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.363 flat angles P-C4'-P energy: -6.335 tors. eta vs tors. theta energy: 1.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -46.066379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.066379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.066379 (E_RNA) where: Base-Base interactions energy: -26.395 where: short stacking energy: -16.186 Base-Backbone interact. energy: -0.078 local terms energy: -19.593869 where: bonds (distance) C4'-P energy: -0.942 bonds (distance) P-C4' energy: -5.648 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -3.790 tors. eta vs tors. theta energy: -3.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 2 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -73.650864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.650864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.650864 (E_RNA) where: Base-Base interactions energy: -37.312 where: short stacking energy: -29.165 Base-Backbone interact. energy: -0.000 local terms energy: -36.338753 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -7.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -67.738405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.738405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.738405 (E_RNA) where: Base-Base interactions energy: -36.566 where: short stacking energy: -29.337 Base-Backbone interact. energy: -0.009 local terms energy: -31.163239 where: bonds (distance) C4'-P energy: -4.472 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.275 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -5.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 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: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -55.889897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.889897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.889897 (E_RNA) where: Base-Base interactions energy: -20.706 where: short stacking energy: -16.264 Base-Backbone interact. energy: -0.000 local terms energy: -35.183470 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -6.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -53.173934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.173934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.173934 (E_RNA) where: Base-Base interactions energy: -22.240 where: short stacking energy: -22.240 Base-Backbone interact. energy: -0.000 local terms energy: -30.934121 where: bonds (distance) C4'-P energy: -5.091 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -5.788 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: 7, replica: 4 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -49.249412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.249412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.249412 (E_RNA) where: Base-Base interactions energy: -20.475 where: short stacking energy: -20.475 Base-Backbone interact. energy: -0.003 local terms energy: -28.771519 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -2.319 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: 8, replica: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -43.384277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.384277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.384277 (E_RNA) where: Base-Base interactions energy: -15.265 where: short stacking energy: -15.265 Base-Backbone interact. energy: -0.018 local terms energy: -28.101353 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.535 flat angles P-C4'-P energy: -6.420 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -48.823218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.823218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.823218 (E_RNA) where: Base-Base interactions energy: -25.306 where: short stacking energy: -18.791 Base-Backbone interact. energy: 1.580 local terms energy: -25.096453 where: bonds (distance) C4'-P energy: -3.681 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -6.286 flat angles P-C4'-P energy: -3.118 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -78.305838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.305838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.305838 (E_RNA) where: Base-Base interactions energy: -43.129 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.078 local terms energy: -35.099069 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -4.574 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: 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: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -52.385200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385200 (E_RNA) where: Base-Base interactions energy: -21.363 where: short stacking energy: -20.930 Base-Backbone interact. energy: -0.087 local terms energy: -30.934493 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.997 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -58.726587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.726587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.726587 (E_RNA) where: Base-Base interactions energy: -23.826 where: short stacking energy: -23.826 Base-Backbone interact. energy: -0.008 local terms energy: -34.892656 where: bonds (distance) C4'-P energy: -8.118 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -5.638 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: 5, replica: 6 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -53.651822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.651822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.651822 (E_RNA) where: Base-Base interactions energy: -24.116 where: short stacking energy: -24.116 Base-Backbone interact. energy: -0.004 local terms energy: -29.531866 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -5.953 flat angles C4'-P-C4' energy: -5.528 flat angles P-C4'-P energy: -5.749 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -49.190295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.190295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.190295 (E_RNA) where: Base-Base interactions energy: -17.571 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.000 local terms energy: -31.619256 where: bonds (distance) C4'-P energy: -6.528 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.697 flat angles P-C4'-P energy: -4.722 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: 4 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -43.344404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.344404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.344404 (E_RNA) where: Base-Base interactions energy: -12.939 where: short stacking energy: -12.939 Base-Backbone interact. energy: -0.121 local terms energy: -30.284332 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -43.457099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.457099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.457099 (E_RNA) where: Base-Base interactions energy: -13.112 where: short stacking energy: -13.112 Base-Backbone interact. energy: -0.004 local terms energy: -30.340751 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -5.907 flat angles P-C4'-P energy: -3.499 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -42.799397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.799397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.799397 (E_RNA) where: Base-Base interactions energy: -15.706 where: short stacking energy: -13.427 Base-Backbone interact. energy: -0.063 local terms energy: -27.029629 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -3.227 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -1.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -81.209289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.209289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.209289 (E_RNA) where: Base-Base interactions energy: -42.975 where: short stacking energy: -32.624 Base-Backbone interact. energy: -0.009 local terms energy: -38.225657 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.804 flat angles C4'-P-C4' energy: -8.884 flat angles P-C4'-P energy: -5.204 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: 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: 5 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -62.679395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.679395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.679395 (E_RNA) where: Base-Base interactions energy: -23.627 where: short stacking energy: -23.627 Base-Backbone interact. energy: -0.087 local terms energy: -38.965606 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.415 flat angles P-C4'-P energy: -6.528 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: 3 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -54.471796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.471796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.471796 (E_RNA) where: Base-Base interactions energy: -19.019 where: short stacking energy: -19.019 Base-Backbone interact. energy: -0.001 local terms energy: -35.451437 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.576 flat angles P-C4'-P energy: -6.391 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: 5, replica: 1 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -50.796439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.796439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.796439 (E_RNA) where: Base-Base interactions energy: -14.980 where: short stacking energy: -14.980 Base-Backbone interact. energy: -0.000 local terms energy: -35.816584 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -50.529732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.529732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.529732 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.001 local terms energy: -27.219196 where: bonds (distance) C4'-P energy: -5.448 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -6.944 flat angles P-C4'-P energy: -1.273 tors. eta vs tors. theta energy: -6.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 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: 4 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -48.414799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.414799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.414799 (E_RNA) where: Base-Base interactions energy: -21.185 where: short stacking energy: -21.185 Base-Backbone interact. energy: -0.098 local terms energy: -27.131250 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -4.418 flat angles C4'-P-C4' energy: -8.764 flat angles P-C4'-P energy: -0.674 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: 9, replica: 10 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -46.989059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.989059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.989059 (E_RNA) where: Base-Base interactions energy: -17.979 where: short stacking energy: -17.979 Base-Backbone interact. energy: -0.029 local terms energy: -28.980432 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -38.087502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.087502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.087502 (E_RNA) where: Base-Base interactions energy: -10.241 where: short stacking energy: -10.241 Base-Backbone interact. energy: -0.144 local terms energy: -27.702360 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -5.745 tors. eta vs tors. theta energy: 1.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -77.592116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.592116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.592116 (E_RNA) where: Base-Base interactions energy: -39.116 where: short stacking energy: -27.685 Base-Backbone interact. energy: 0.178 local terms energy: -38.653639 where: bonds (distance) C4'-P energy: -5.571 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -9.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -66.082540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.082540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.082540 (E_RNA) where: Base-Base interactions energy: -29.674 where: short stacking energy: -29.204 Base-Backbone interact. energy: -0.004 local terms energy: -36.404628 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -5.239 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: 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: 1 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -51.945109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.945109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.945109 (E_RNA) where: Base-Base interactions energy: -17.482 where: short stacking energy: -17.482 Base-Backbone interact. energy: -0.046 local terms energy: -34.417197 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -7.624 flat angles P-C4'-P energy: -4.421 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: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -48.464185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.464185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.464185 (E_RNA) where: Base-Base interactions energy: -24.723 where: short stacking energy: -7.742 Base-Backbone interact. energy: -0.785 local terms energy: -22.956488 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -1.600 tors. eta vs tors. theta energy: -0.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -50.611609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.611609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.611609 (E_RNA) where: Base-Base interactions energy: -19.821 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.018 local terms energy: -30.772440 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.063 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: 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: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -46.406060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.406060 (E_RNA) where: Base-Base interactions energy: -19.595 where: short stacking energy: -19.595 Base-Backbone interact. energy: 0.463 local terms energy: -27.273661 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -4.854 flat angles C4'-P-C4' energy: -5.348 flat angles P-C4'-P energy: -3.745 tors. eta vs tors. theta energy: -5.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -38.398297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.398297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.398297 (E_RNA) where: Base-Base interactions energy: -14.467 where: short stacking energy: -14.467 Base-Backbone interact. energy: -0.006 local terms energy: -23.926096 where: bonds (distance) C4'-P energy: -3.139 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.204 flat angles P-C4'-P energy: -4.491 tors. eta vs tors. theta energy: -0.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -51.779430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.779430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.779430 (E_RNA) where: Base-Base interactions energy: -19.611 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.097 local terms energy: -32.071504 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -3.206 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: 1, replica: 5 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -70.647571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.647571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.647571 (E_RNA) where: Base-Base interactions energy: -32.703 where: short stacking energy: -31.169 Base-Backbone interact. energy: -0.524 local terms energy: -37.420659 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.607 flat angles C4'-P-C4' energy: -6.064 flat angles P-C4'-P energy: -6.547 tors. eta vs tors. theta energy: -9.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -69.469439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.469439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.469439 (E_RNA) where: Base-Base interactions energy: -38.049 where: short stacking energy: -24.740 Base-Backbone interact. energy: -0.003 local terms energy: -31.418270 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -6.409 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: 3, replica: 1 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -69.431926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.431926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.431926 (E_RNA) where: Base-Base interactions energy: -42.786 where: short stacking energy: -14.491 Base-Backbone interact. energy: -0.553 local terms energy: -26.092230 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -5.323 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: 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: 6 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -50.328411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.328411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.328411 (E_RNA) where: Base-Base interactions energy: -20.301 where: short stacking energy: -20.301 Base-Backbone interact. energy: -0.056 local terms energy: -29.971110 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.430 flat angles P-C4'-P energy: -3.426 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: 6, replica: 3 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -65.769409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.769409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.769409 (E_RNA) where: Base-Base interactions energy: -30.777 where: short stacking energy: -21.178 Base-Backbone interact. energy: 0.652 local terms energy: -35.644543 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -5.468 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: 7, replica: 10 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -40.452944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.452944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.452944 (E_RNA) where: Base-Base interactions energy: -16.836 where: short stacking energy: -12.618 Base-Backbone interact. energy: -0.176 local terms energy: -23.440862 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 7 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -50.868765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.868765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.868765 (E_RNA) where: Base-Base interactions energy: -18.572 where: short stacking energy: -15.711 Base-Backbone interact. energy: -0.001 local terms energy: -32.295889 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -5.129 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: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -47.270287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.270287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.270287 (E_RNA) where: Base-Base interactions energy: -19.046 where: short stacking energy: -8.214 Base-Backbone interact. energy: -0.016 local terms energy: -28.208120 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -3.554 flat angles P-C4'-P energy: -6.053 tors. eta vs tors. theta energy: -1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -68.727451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.727451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.727451 (E_RNA) where: Base-Base interactions energy: -34.308 where: short stacking energy: -27.713 Base-Backbone interact. energy: -0.404 local terms energy: -34.015707 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -3.967 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: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -76.955659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.955659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.955659 (E_RNA) where: Base-Base interactions energy: -40.375 where: short stacking energy: -25.131 Base-Backbone interact. energy: -0.004 local terms energy: -36.576961 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -7.838 flat angles P-C4'-P energy: -6.023 tors. eta vs tors. theta energy: -7.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -56.762108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.762108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.762108 (E_RNA) where: Base-Base interactions energy: -22.835 where: short stacking energy: -22.835 Base-Backbone interact. energy: -0.002 local terms energy: -33.925320 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.028 flat angles P-C4'-P energy: -4.948 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: 4, replica: 6 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -54.947502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.947502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.947502 (E_RNA) where: Base-Base interactions energy: -20.245 where: short stacking energy: -20.245 Base-Backbone interact. energy: -0.000 local terms energy: -34.702538 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -7.053 tors. eta vs tors. theta energy: -3.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 10 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -58.271540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.271540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.271540 (E_RNA) where: Base-Base interactions energy: -27.079 where: short stacking energy: -27.079 Base-Backbone interact. energy: -0.005 local terms energy: -31.187897 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -6.209 flat angles C4'-P-C4' energy: -4.870 flat angles P-C4'-P energy: -4.027 tors. eta vs tors. theta energy: -8.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -43.599198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.599198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.599198 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -10.219 Base-Backbone interact. energy: -0.008 local terms energy: -24.581246 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -2.411 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: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -47.376747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.376747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.376747 (E_RNA) where: Base-Base interactions energy: -17.379 where: short stacking energy: -11.920 Base-Backbone interact. energy: -0.019 local terms energy: -29.979218 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -45.326349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.326349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.326349 (E_RNA) where: Base-Base interactions energy: -11.308 where: short stacking energy: -10.151 Base-Backbone interact. energy: -0.382 local terms energy: -33.635720 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.648 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: 5 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -74.414334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.414334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.414334 (E_RNA) where: Base-Base interactions energy: -37.284 where: short stacking energy: -27.432 Base-Backbone interact. energy: -0.006 local terms energy: -37.123406 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.914 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -7.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -58.292266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.292266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.292266 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.000 local terms energy: -35.597165 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -5.755 flat angles C4'-P-C4' energy: -8.364 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -7.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -58.969837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.969837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.969837 (E_RNA) where: Base-Base interactions energy: -24.047 where: short stacking energy: -24.047 Base-Backbone interact. energy: -0.014 local terms energy: -34.908829 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -4.952 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: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -54.803133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.803133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.803133 (E_RNA) where: Base-Base interactions energy: -26.796 where: short stacking energy: -26.796 Base-Backbone interact. energy: -0.026 local terms energy: -27.980493 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.865 flat angles P-C4'-P energy: -3.641 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: 5, replica: 10 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -60.810398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.810398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.810398 (E_RNA) where: Base-Base interactions energy: -22.228 where: short stacking energy: -22.228 Base-Backbone interact. energy: -0.000 local terms energy: -38.582031 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.771 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -6.851 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: 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: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -45.083624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.083624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.083624 (E_RNA) where: Base-Base interactions energy: -11.674 where: short stacking energy: -11.674 Base-Backbone interact. energy: -0.034 local terms energy: -33.375489 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -48.780904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.780904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.780904 (E_RNA) where: Base-Base interactions energy: -20.340 where: short stacking energy: -20.340 Base-Backbone interact. energy: -0.137 local terms energy: -28.303399 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -2.783 tors. eta vs tors. theta energy: -3.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -47.757932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.757932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.757932 (E_RNA) where: Base-Base interactions energy: -17.080 where: short stacking energy: -16.688 Base-Backbone interact. energy: -0.005 local terms energy: -30.672564 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.971 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -2.409 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: 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: -69.545851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.545851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.545851 (E_RNA) where: Base-Base interactions energy: -33.442 where: short stacking energy: -29.031 Base-Backbone interact. energy: -0.000 local terms energy: -36.103921 where: bonds (distance) C4'-P energy: -6.022 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.968 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -8.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -64.090742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.090742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.090742 (E_RNA) where: Base-Base interactions energy: -27.934 where: short stacking energy: -27.934 Base-Backbone interact. energy: -0.000 local terms energy: -36.156175 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -6.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -60.604762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.604762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.604762 (E_RNA) where: Base-Base interactions energy: -24.917 where: short stacking energy: -24.917 Base-Backbone interact. energy: -0.000 local terms energy: -35.687427 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -5.428 tors. eta vs tors. theta energy: -7.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -57.879478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.879478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.879478 (E_RNA) where: Base-Base interactions energy: -24.084 where: short stacking energy: -24.084 Base-Backbone interact. energy: -0.000 local terms energy: -33.795140 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.067 tors. eta vs tors. theta energy: -7.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -66.343721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.343721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.343721 (E_RNA) where: Base-Base interactions energy: -28.130 where: short stacking energy: -28.130 Base-Backbone interact. energy: -0.000 local terms energy: -38.213334 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.833 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: 6, replica: 7 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -56.005830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.005830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.005830 (E_RNA) where: Base-Base interactions energy: -23.495 where: short stacking energy: -23.495 Base-Backbone interact. energy: -0.023 local terms energy: -32.487340 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -4.792 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -51.691689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.691689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.691689 (E_RNA) where: Base-Base interactions energy: -22.274 where: short stacking energy: -18.503 Base-Backbone interact. energy: -0.014 local terms energy: -29.403705 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -2.837 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -48.506429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.506429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.506429 (E_RNA) where: Base-Base interactions energy: -14.634 where: short stacking energy: -14.634 Base-Backbone interact. energy: -0.009 local terms energy: -33.863609 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -6.758 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: 15 Temperature: 1.300000 Total energy: -40.734426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.734426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.734426 (E_RNA) where: Base-Base interactions energy: -14.174 where: short stacking energy: -14.174 Base-Backbone interact. energy: 0.203 local terms energy: -26.762873 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -4.275 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -60.944379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.944379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.944379 (E_RNA) where: Base-Base interactions energy: -23.237 where: short stacking energy: -23.237 Base-Backbone interact. energy: -0.037 local terms energy: -37.670275 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -7.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -61.700035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.700035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.700035 (E_RNA) where: Base-Base interactions energy: -27.279 where: short stacking energy: -22.752 Base-Backbone interact. energy: -0.071 local terms energy: -34.350934 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.065 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -50.569709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.569709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.569709 (E_RNA) where: Base-Base interactions energy: -18.652 where: short stacking energy: -18.652 Base-Backbone interact. energy: -0.102 local terms energy: -31.816642 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -5.801 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: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -61.637562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.637562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.637562 (E_RNA) where: Base-Base interactions energy: -24.509 where: short stacking energy: -24.402 Base-Backbone interact. energy: -0.000 local terms energy: -37.128583 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -5.720 tors. eta vs tors. theta energy: -6.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -51.164916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.164916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.164916 (E_RNA) where: Base-Base interactions energy: -22.942 where: short stacking energy: -22.942 Base-Backbone interact. energy: -0.002 local terms energy: -28.221358 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.355 flat angles P-C4'-P energy: -4.516 tors. eta vs tors. theta energy: -3.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -47.703431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.703431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.703431 (E_RNA) where: Base-Base interactions energy: -16.701 where: short stacking energy: -12.116 Base-Backbone interact. energy: -0.053 local terms energy: -30.949550 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -4.837 tors. eta vs tors. theta energy: -3.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -49.275321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.275321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.275321 (E_RNA) where: Base-Base interactions energy: -19.287 where: short stacking energy: -19.287 Base-Backbone interact. energy: -0.093 local terms energy: -29.895372 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.109 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: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -45.536066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.536066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.536066 (E_RNA) where: Base-Base interactions energy: -11.349 where: short stacking energy: -11.349 Base-Backbone interact. energy: -0.093 local terms energy: -34.093527 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.116 flat angles P-C4'-P energy: -6.200 tors. eta vs tors. theta energy: -2.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 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: -36.287783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.287783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.287783 (E_RNA) where: Base-Base interactions energy: -9.458 where: short stacking energy: -9.204 Base-Backbone interact. energy: -0.089 local terms energy: -26.740663 where: bonds (distance) C4'-P energy: -7.190 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -6.085 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: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -74.879566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.879566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.879566 (E_RNA) where: Base-Base interactions energy: -41.191 where: short stacking energy: -30.590 Base-Backbone interact. energy: -0.161 local terms energy: -33.527034 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -8.010 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -7.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -59.685806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.685806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.685806 (E_RNA) where: Base-Base interactions energy: -25.138 where: short stacking energy: -25.138 Base-Backbone interact. energy: -0.001 local terms energy: -34.546991 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -3.212 tors. eta vs tors. theta energy: -7.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -66.567267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.567267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.567267 (E_RNA) where: Base-Base interactions energy: -36.340 where: short stacking energy: -19.506 Base-Backbone interact. energy: -0.004 local terms energy: -30.222680 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -4.949 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: 4, replica: 7 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -60.323261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.323261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.323261 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -18.385 Base-Backbone interact. energy: -0.735 local terms energy: -38.551827 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.887 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -6.872 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: 5, replica: 2 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -62.005167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.005167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.005167 (E_RNA) where: Base-Base interactions energy: -34.080 where: short stacking energy: -17.052 Base-Backbone interact. energy: -0.080 local terms energy: -27.844998 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -4.245 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -6.151 tors. eta vs tors. theta energy: -2.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -50.297448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.297448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.297448 (E_RNA) where: Base-Base interactions energy: -22.577 where: short stacking energy: -17.024 Base-Backbone interact. energy: -0.008 local terms energy: -27.712674 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: 0.417 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: 7, replica: 6 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -47.708521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.708521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.708521 (E_RNA) where: Base-Base interactions energy: -18.731 where: short stacking energy: -18.489 Base-Backbone interact. energy: -0.355 local terms energy: -28.621871 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -2.059 tors. eta vs tors. theta energy: -3.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 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: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -43.675282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.675282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.675282 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.091 local terms energy: -28.089112 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -6.951 flat angles C4'-P-C4' energy: -7.437 flat angles P-C4'-P energy: -4.339 tors. eta vs tors. theta energy: -4.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -40.439970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.439970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.439970 (E_RNA) where: Base-Base interactions energy: -8.849 where: short stacking energy: -8.849 Base-Backbone interact. energy: -0.013 local terms energy: -31.578076 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -7.116 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: 1, replica: 10 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -66.508604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.508604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.508604 (E_RNA) where: Base-Base interactions energy: -31.414 where: short stacking energy: -25.918 Base-Backbone interact. energy: -0.014 local terms energy: -35.081263 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -5.596 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: 2, replica: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -64.117847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.117847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.117847 (E_RNA) where: Base-Base interactions energy: -30.355 where: short stacking energy: -30.355 Base-Backbone interact. energy: -0.001 local terms energy: -33.761884 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -5.846 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -5.994 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: 3, replica: 7 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -51.194270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.194270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.194270 (E_RNA) where: Base-Base interactions energy: -18.815 where: short stacking energy: -18.815 Base-Backbone interact. energy: -0.042 local terms energy: -32.337181 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -5.242 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -57.847617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.847617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.847617 (E_RNA) where: Base-Base interactions energy: -31.398 where: short stacking energy: -21.524 Base-Backbone interact. energy: -0.040 local terms energy: -26.409870 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -7.983 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -6.587 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: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -51.719821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.719821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.719821 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.001 local terms energy: -28.614591 where: bonds (distance) C4'-P energy: -1.829 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -5.107 flat angles P-C4'-P energy: -5.573 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: 6, replica: 2 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -46.393127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.393127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.393127 (E_RNA) where: Base-Base interactions energy: -16.963 where: short stacking energy: -16.609 Base-Backbone interact. energy: -0.118 local terms energy: -29.312007 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.445 flat angles C4'-P-C4' energy: -7.025 flat angles P-C4'-P energy: -4.676 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: 7, replica: 8 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -47.305772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.305772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.305772 (E_RNA) where: Base-Base interactions energy: -18.928 where: short stacking energy: -18.928 Base-Backbone interact. energy: -0.026 local terms energy: -28.352428 where: bonds (distance) C4'-P energy: -3.230 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -4.957 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: 8, replica: 6 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -58.114709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.114709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.114709 (E_RNA) where: Base-Base interactions energy: -25.730 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.001 local terms energy: -32.384523 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -4.285 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: 3 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -42.287153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.287153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.287153 (E_RNA) where: Base-Base interactions energy: -13.989 where: short stacking energy: -13.989 Base-Backbone interact. energy: -0.001 local terms energy: -28.297330 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -3.036 flat angles P-C4'-P energy: -6.598 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: 10, replica: 9 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -37.162228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.162228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.162228 (E_RNA) where: Base-Base interactions energy: -21.444 where: short stacking energy: -16.579 Base-Backbone interact. energy: -0.002 local terms energy: -15.716133 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: 0.161 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -3.869 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: 10 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -67.214985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.214985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.214985 (E_RNA) where: Base-Base interactions energy: -30.427 where: short stacking energy: -28.565 Base-Backbone interact. energy: -0.008 local terms energy: -36.780901 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.366 flat angles P-C4'-P energy: -5.331 tors. eta vs tors. theta energy: -7.200 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: 19 Temperature: 0.950000 Total energy: -64.825145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.825145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.825145 (E_RNA) where: Base-Base interactions energy: -26.051 where: short stacking energy: -26.051 Base-Backbone interact. energy: -0.000 local terms energy: -38.773958 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -5.079 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: 7 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -58.669634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.669634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.669634 (E_RNA) where: Base-Base interactions energy: -23.491 where: short stacking energy: -23.363 Base-Backbone interact. energy: -0.000 local terms energy: -35.178307 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -5.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -52.967736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.967736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.967736 (E_RNA) where: Base-Base interactions energy: -20.066 where: short stacking energy: -20.066 Base-Backbone interact. energy: -0.100 local terms energy: -32.801571 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -6.072 flat angles P-C4'-P energy: -6.364 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -61.508010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.508010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.508010 (E_RNA) where: Base-Base interactions energy: -26.269 where: short stacking energy: -23.442 Base-Backbone interact. energy: -1.755 local terms energy: -33.484552 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -46.314073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.314073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.314073 (E_RNA) where: Base-Base interactions energy: -12.907 where: short stacking energy: -12.907 Base-Backbone interact. energy: -0.000 local terms energy: -33.406865 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -3.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -54.088676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.088676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.088676 (E_RNA) where: Base-Base interactions energy: -27.056 where: short stacking energy: -27.056 Base-Backbone interact. energy: -0.000 local terms energy: -27.032187 where: bonds (distance) C4'-P energy: -2.737 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.108 flat angles P-C4'-P energy: -1.286 tors. eta vs tors. theta energy: -8.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -43.082150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.082150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.082150 (E_RNA) where: Base-Base interactions energy: -19.610 where: short stacking energy: -15.841 Base-Backbone interact. energy: -0.002 local terms energy: -23.470148 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -3.465 flat angles C4'-P-C4' energy: -4.811 flat angles P-C4'-P energy: -4.640 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: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -40.235390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.235390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.235390 (E_RNA) where: Base-Base interactions energy: -12.502 where: short stacking energy: -12.050 Base-Backbone interact. energy: -0.072 local terms energy: -27.661719 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -2.843 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -37.196081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.196081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.196081 (E_RNA) where: Base-Base interactions energy: -14.150 where: short stacking energy: -11.567 Base-Backbone interact. energy: -0.120 local terms energy: -22.925844 where: bonds (distance) C4'-P energy: -2.521 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -68.656319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.656319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.656319 (E_RNA) where: Base-Base interactions energy: -37.875 where: short stacking energy: -22.967 Base-Backbone interact. energy: -0.000 local terms energy: -30.781455 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -0.159 tors. eta vs tors. theta energy: -9.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -64.317652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.317652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.317652 (E_RNA) where: Base-Base interactions energy: -31.277 where: short stacking energy: -31.277 Base-Backbone interact. energy: 0.320 local terms energy: -33.360469 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -5.204 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -6.963 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: 3, replica: 4 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -69.916645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.916645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.916645 (E_RNA) where: Base-Base interactions energy: -39.418 where: short stacking energy: -25.518 Base-Backbone interact. energy: -0.000 local terms energy: -30.498867 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -3.256 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -63.434525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.434525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.434525 (E_RNA) where: Base-Base interactions energy: -29.220 where: short stacking energy: -25.397 Base-Backbone interact. energy: -0.312 local terms energy: -33.902977 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.209 flat angles P-C4'-P energy: -5.147 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: 5, replica: 8 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -48.857301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.857301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.857301 (E_RNA) where: Base-Base interactions energy: -18.837 where: short stacking energy: -18.837 Base-Backbone interact. energy: -0.002 local terms energy: -30.018797 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -58.371939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.371939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.371939 (E_RNA) where: Base-Base interactions energy: -25.598 where: short stacking energy: -15.299 Base-Backbone interact. energy: -0.021 local terms energy: -32.753685 where: bonds (distance) C4'-P energy: -8.027 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -7.344 flat angles P-C4'-P energy: -4.741 tors. eta vs tors. theta energy: -5.217 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: 7, replica: 3 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -48.837531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.837531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.837531 (E_RNA) where: Base-Base interactions energy: -17.781 where: short stacking energy: -17.781 Base-Backbone interact. energy: -0.198 local terms energy: -30.859034 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.917 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -3.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -42.707145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.707145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.707145 (E_RNA) where: Base-Base interactions energy: -15.168 where: short stacking energy: -11.303 Base-Backbone interact. energy: -0.450 local terms energy: -27.088286 where: bonds (distance) C4'-P energy: -5.071 bonds (distance) P-C4' energy: -7.231 flat angles C4'-P-C4' energy: -4.739 flat angles P-C4'-P energy: -6.259 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: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -42.883589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.883589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.883589 (E_RNA) where: Base-Base interactions energy: -25.131 where: short stacking energy: -11.452 Base-Backbone interact. energy: -0.123 local terms energy: -17.629465 where: bonds (distance) C4'-P energy: -4.471 bonds (distance) P-C4' energy: -4.917 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -1.182 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: 9 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -43.067469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.067469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.067469 (E_RNA) where: Base-Base interactions energy: -18.032 where: short stacking energy: -18.032 Base-Backbone interact. energy: -0.002 local terms energy: -25.034089 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -5.807 flat angles P-C4'-P energy: -3.395 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: 1, replica: 1 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -74.199720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.199720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.199720 (E_RNA) where: Base-Base interactions energy: -34.202 where: short stacking energy: -34.202 Base-Backbone interact. energy: -0.000 local terms energy: -39.997697 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -10.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -60.235082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.235082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.235082 (E_RNA) where: Base-Base interactions energy: -23.706 where: short stacking energy: -23.706 Base-Backbone interact. energy: -0.100 local terms energy: -36.429181 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.075 flat angles P-C4'-P energy: -6.794 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: 3, replica: 10 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -54.078597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.078597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.078597 (E_RNA) where: Base-Base interactions energy: -24.572 where: short stacking energy: -23.538 Base-Backbone interact. energy: -0.241 local terms energy: -29.265551 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.294 flat angles P-C4'-P energy: -5.394 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: 4, replica: 7 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -55.730778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.730778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.730778 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -19.140 Base-Backbone interact. energy: -0.059 local terms energy: -36.531239 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -9.309 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -48.544976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.544976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.544976 (E_RNA) where: Base-Base interactions energy: -14.803 where: short stacking energy: -14.803 Base-Backbone interact. energy: -0.003 local terms energy: -33.739154 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -5.469 tors. eta vs tors. theta energy: -3.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -53.836206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.836206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.836206 (E_RNA) where: Base-Base interactions energy: -25.515 where: short stacking energy: -21.113 Base-Backbone interact. energy: -0.025 local terms energy: -28.295888 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -4.879 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -46.238001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.238001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.238001 (E_RNA) where: Base-Base interactions energy: -15.846 where: short stacking energy: -15.846 Base-Backbone interact. energy: -0.113 local terms energy: -30.278800 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -6.623 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -49.253866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.253866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.253866 (E_RNA) where: Base-Base interactions energy: -22.510 where: short stacking energy: -11.530 Base-Backbone interact. energy: -0.011 local terms energy: -26.733077 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -4.861 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: 9, replica: 2 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -46.842143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.842143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.842143 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.020 local terms energy: -29.311389 where: bonds (distance) C4'-P energy: -4.579 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -4.582 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -46.991141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.991141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.991141 (E_RNA) where: Base-Base interactions energy: -15.907 where: short stacking energy: -15.907 Base-Backbone interact. energy: -0.015 local terms energy: -31.069572 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.788 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -58.675882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.675882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.675882 (E_RNA) where: Base-Base interactions energy: -25.672 where: short stacking energy: -24.603 Base-Backbone interact. energy: -0.655 local terms energy: -32.349263 where: bonds (distance) C4'-P energy: -5.615 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.349 flat angles P-C4'-P energy: -5.322 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: 2, replica: 1 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -65.171157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.171157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.171157 (E_RNA) where: Base-Base interactions energy: -29.615 where: short stacking energy: -29.615 Base-Backbone interact. energy: -0.004 local terms energy: -35.552060 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -7.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -52.105192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.105192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.105192 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.006 local terms energy: -31.655844 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.442 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: 4, replica: 7 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -51.511566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.511566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.511566 (E_RNA) where: Base-Base interactions energy: -20.203 where: short stacking energy: -7.763 Base-Backbone interact. energy: -0.238 local terms energy: -31.070056 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -6.854 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: 5, replica: 3 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -55.741646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.741646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.741646 (E_RNA) where: Base-Base interactions energy: -22.061 where: short stacking energy: -21.869 Base-Backbone interact. energy: -0.048 local terms energy: -33.632512 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.353 tors. eta vs tors. theta energy: -7.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -59.553224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.553224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.553224 (E_RNA) where: Base-Base interactions energy: -29.345 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.005 local terms energy: -30.203685 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -4.998 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: 6 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -49.771282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.771282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.771282 (E_RNA) where: Base-Base interactions energy: -22.938 where: short stacking energy: -22.526 Base-Backbone interact. energy: -0.141 local terms energy: -26.691658 where: bonds (distance) C4'-P energy: -4.718 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -4.462 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: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -48.292099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.292099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.292099 (E_RNA) where: Base-Base interactions energy: -21.032 where: short stacking energy: -21.332 Base-Backbone interact. energy: -0.080 local terms energy: -27.180441 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -3.538 tors. eta vs tors. theta energy: -3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -40.135101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.135101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.135101 (E_RNA) where: Base-Base interactions energy: -16.933 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.155 local terms energy: -23.046838 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -3.214 flat angles P-C4'-P energy: -2.630 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: 10, replica: 2 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -38.932375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.932375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.932375 (E_RNA) where: Base-Base interactions energy: -16.386 where: short stacking energy: -5.848 Base-Backbone interact. energy: -0.102 local terms energy: -22.444441 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: 3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -70.266584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.266584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.266584 (E_RNA) where: Base-Base interactions energy: -38.096 where: short stacking energy: -24.403 Base-Backbone interact. energy: -0.007 local terms energy: -32.163961 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -5.188 flat angles P-C4'-P energy: -5.310 tors. eta vs tors. theta energy: -5.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -82.789749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.789749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.789749 (E_RNA) where: Base-Base interactions energy: -50.784 where: short stacking energy: -33.424 Base-Backbone interact. energy: -0.002 local terms energy: -32.003635 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -6.020 flat angles C4'-P-C4' energy: -8.548 flat angles P-C4'-P energy: -4.093 tors. eta vs tors. theta energy: -7.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -58.619666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.619666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.619666 (E_RNA) where: Base-Base interactions energy: -29.173 where: short stacking energy: -29.173 Base-Backbone interact. energy: -0.009 local terms energy: -29.437061 where: bonds (distance) C4'-P energy: -3.565 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -63.595976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.595976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.595976 (E_RNA) where: Base-Base interactions energy: -28.730 where: short stacking energy: -18.622 Base-Backbone interact. energy: -0.001 local terms energy: -34.865317 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.395 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: 5, replica: 3 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -56.506379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.506379 (E_RNA) where: Base-Base interactions energy: -26.900 where: short stacking energy: -21.184 Base-Backbone interact. energy: -0.016 local terms energy: -29.590438 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -4.597 flat angles P-C4'-P energy: -4.804 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -46.113438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.113438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.113438 (E_RNA) where: Base-Base interactions energy: -13.632 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.669 local terms energy: -31.811706 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -54.589656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.589656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.589656 (E_RNA) where: Base-Base interactions energy: -18.318 where: short stacking energy: -18.318 Base-Backbone interact. energy: -0.000 local terms energy: -36.271854 where: bonds (distance) C4'-P energy: -7.861 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.025 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -45.393001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.393001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.393001 (E_RNA) where: Base-Base interactions energy: -17.813 where: short stacking energy: -9.175 Base-Backbone interact. energy: -0.017 local terms energy: -27.563957 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -7.649 flat angles P-C4'-P energy: -1.658 tors. eta vs tors. theta energy: -1.928 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: 9, replica: 9 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -43.414756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.414756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.414756 (E_RNA) where: Base-Base interactions energy: -14.851 where: short stacking energy: -14.851 Base-Backbone interact. energy: -0.014 local terms energy: -28.549951 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -3.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -44.857666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.857666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.857666 (E_RNA) where: Base-Base interactions energy: -18.268 where: short stacking energy: -12.042 Base-Backbone interact. energy: -0.002 local terms energy: -26.587102 where: bonds (distance) C4'-P energy: -2.537 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.261 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: 1, replica: 10 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -75.054541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.054541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.054541 (E_RNA) where: Base-Base interactions energy: -40.875 where: short stacking energy: -21.832 Base-Backbone interact. energy: -0.002 local terms energy: -34.177295 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.737 flat angles P-C4'-P energy: -6.824 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -70.916498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.916498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.916498 (E_RNA) where: Base-Base interactions energy: -36.086 where: short stacking energy: -26.188 Base-Backbone interact. energy: -0.043 local terms energy: -34.787393 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -64.412426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.412426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.412426 (E_RNA) where: Base-Base interactions energy: -30.433 where: short stacking energy: -25.424 Base-Backbone interact. energy: -0.003 local terms energy: -33.976435 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -7.392 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -52.960512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.960512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.960512 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.000 local terms energy: -34.643546 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -5.370 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: 5, replica: 3 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -57.681939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.681939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.681939 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.003 local terms energy: -31.010359 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -7.033 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -8.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -45.433206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.433206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.433206 (E_RNA) where: Base-Base interactions energy: -14.554 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.866 local terms energy: -30.012828 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -8.217 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -0.989 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: 5 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -47.018924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.018924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.018924 (E_RNA) where: Base-Base interactions energy: -22.076 where: short stacking energy: -21.366 Base-Backbone interact. energy: -0.128 local terms energy: -24.814563 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -5.299 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -5.779 tors. eta vs tors. theta energy: -0.426 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: 24 Temperature: 1.250000 Total energy: -40.494264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.494264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.494264 (E_RNA) where: Base-Base interactions energy: -14.774 where: short stacking energy: -14.774 Base-Backbone interact. energy: -0.044 local terms energy: -25.676201 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -6.131 flat angles P-C4'-P energy: -4.562 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: 9, replica: 2 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -45.746354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.746354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.746354 (E_RNA) where: Base-Base interactions energy: -17.350 where: short stacking energy: -15.777 Base-Backbone interact. energy: -0.065 local terms energy: -28.331538 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -7.845 flat angles C4'-P-C4' energy: -8.471 flat angles P-C4'-P energy: -6.082 tors. eta vs tors. theta energy: 0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -40.905448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.905448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.905448 (E_RNA) where: Base-Base interactions energy: -12.481 where: short stacking energy: -11.357 Base-Backbone interact. energy: -0.360 local terms energy: -28.064170 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -4.638 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -81.289798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.289798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.289798 (E_RNA) where: Base-Base interactions energy: -47.862 where: short stacking energy: -28.727 Base-Backbone interact. energy: -0.048 local terms energy: -33.380252 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -9.096 flat angles P-C4'-P energy: -5.712 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: 2, replica: 7 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -69.354999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.354999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.354999 (E_RNA) where: Base-Base interactions energy: -32.515 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.042 local terms energy: -36.797909 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.991 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -5.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -55.278821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.278821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.278821 (E_RNA) where: Base-Base interactions energy: -21.854 where: short stacking energy: -20.904 Base-Backbone interact. energy: -0.000 local terms energy: -33.425067 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -3.702 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -7.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -55.658101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.658101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.658101 (E_RNA) where: Base-Base interactions energy: -23.905 where: short stacking energy: -21.564 Base-Backbone interact. energy: -0.024 local terms energy: -31.728854 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.081 flat angles P-C4'-P energy: -5.825 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -54.946675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.946675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.946675 (E_RNA) where: Base-Base interactions energy: -22.123 where: short stacking energy: -21.308 Base-Backbone interact. energy: -0.754 local terms energy: -32.070008 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -5.750 tors. eta vs tors. theta energy: -5.741 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: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -54.494329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.494329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.494329 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.000 local terms energy: -34.662939 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -5.852 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: 7, replica: 6 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -45.415298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.415298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.415298 (E_RNA) where: Base-Base interactions energy: -20.046 where: short stacking energy: -10.185 Base-Backbone interact. energy: -0.724 local terms energy: -24.645188 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -1.290 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -1.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -40.575770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.575770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.575770 (E_RNA) where: Base-Base interactions energy: -10.627 where: short stacking energy: -10.627 Base-Backbone interact. energy: -0.026 local terms energy: -29.921967 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -6.524 tors. eta vs tors. theta energy: -2.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -47.934270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.934270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.934270 (E_RNA) where: Base-Base interactions energy: -16.814 where: short stacking energy: -16.814 Base-Backbone interact. energy: -0.149 local terms energy: -30.971450 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -5.553 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -41.302031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.302031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.302031 (E_RNA) where: Base-Base interactions energy: -15.487 where: short stacking energy: -15.487 Base-Backbone interact. energy: -0.055 local terms energy: -25.759744 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.137 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.103 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: 1, replica: 7 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -75.205121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.205121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.205121 (E_RNA) where: Base-Base interactions energy: -33.365 where: short stacking energy: -29.812 Base-Backbone interact. energy: -1.209 local terms energy: -40.630877 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.107 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -8.814 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: 10 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -82.693765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.693765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.693765 (E_RNA) where: Base-Base interactions energy: -46.467 where: short stacking energy: -31.631 Base-Backbone interact. energy: 0.735 local terms energy: -36.961786 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -6.319 tors. eta vs tors. theta energy: -8.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -57.400708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.400708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.400708 (E_RNA) where: Base-Base interactions energy: -23.088 where: short stacking energy: -23.088 Base-Backbone interact. energy: -0.001 local terms energy: -34.311792 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -55.999591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.999591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.999591 (E_RNA) where: Base-Base interactions energy: -22.045 where: short stacking energy: -16.543 Base-Backbone interact. energy: -1.126 local terms energy: -32.828433 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.407 flat angles P-C4'-P energy: -5.170 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: 5, replica: 5 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -54.127241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.127241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.127241 (E_RNA) where: Base-Base interactions energy: -25.059 where: short stacking energy: -25.059 Base-Backbone interact. energy: -0.001 local terms energy: -29.067193 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -68.019826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.019826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.019826 (E_RNA) where: Base-Base interactions energy: -35.381 where: short stacking energy: -21.703 Base-Backbone interact. energy: -0.003 local terms energy: -32.636227 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -6.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -54.666532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.666532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.666532 (E_RNA) where: Base-Base interactions energy: -25.461 where: short stacking energy: -19.865 Base-Backbone interact. energy: -0.165 local terms energy: -29.040668 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.205 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: 8, replica: 6 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -54.497815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.497815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.497815 (E_RNA) where: Base-Base interactions energy: -18.764 where: short stacking energy: -18.764 Base-Backbone interact. energy: -0.000 local terms energy: -35.733445 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -7.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -43.709851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.709851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.709851 (E_RNA) where: Base-Base interactions energy: -20.004 where: short stacking energy: -17.806 Base-Backbone interact. energy: -0.092 local terms energy: -23.614655 where: bonds (distance) C4'-P energy: -5.349 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -8.886 flat angles P-C4'-P energy: -0.578 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: 8 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -42.414468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.414468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.414468 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -11.225 Base-Backbone interact. energy: -0.107 local terms energy: -25.115933 where: bonds (distance) C4'-P energy: -6.014 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -3.449 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: 1, replica: 7 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -62.425865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.425865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.425865 (E_RNA) where: Base-Base interactions energy: -25.955 where: short stacking energy: -18.347 Base-Backbone interact. energy: -0.000 local terms energy: -36.470281 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -9.246 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -57.233530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.233530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.233530 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -21.858 Base-Backbone interact. energy: -0.008 local terms energy: -33.756718 where: bonds (distance) C4'-P energy: -6.028 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -4.922 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -73.421754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.421754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.421754 (E_RNA) where: Base-Base interactions energy: -39.754 where: short stacking energy: -27.113 Base-Backbone interact. energy: -0.055 local terms energy: -33.612588 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -5.639 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: 4, replica: 5 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -56.792595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.792595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.792595 (E_RNA) where: Base-Base interactions energy: -24.296 where: short stacking energy: -23.303 Base-Backbone interact. energy: -0.002 local terms energy: -32.494435 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -5.139 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -51.784018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.784018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.784018 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -14.957 Base-Backbone interact. energy: -0.100 local terms energy: -33.192025 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.838 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: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -51.898840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.898840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.898840 (E_RNA) where: Base-Base interactions energy: -20.617 where: short stacking energy: -19.206 Base-Backbone interact. energy: -0.001 local terms energy: -31.280851 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -3.230 flat angles P-C4'-P energy: -5.680 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: 7, replica: 3 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -46.628598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.628598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.628598 (E_RNA) where: Base-Base interactions energy: -17.762 where: short stacking energy: -17.640 Base-Backbone interact. energy: -0.023 local terms energy: -28.844124 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.366 flat angles P-C4'-P energy: -4.836 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: 8, replica: 6 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -48.821876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.821876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.821876 (E_RNA) where: Base-Base interactions energy: -18.597 where: short stacking energy: -18.597 Base-Backbone interact. energy: -0.233 local terms energy: -29.991208 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -4.604 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -4.634 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: 9, replica: 9 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -44.975793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.975793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.975793 (E_RNA) where: Base-Base interactions energy: -16.633 where: short stacking energy: -16.633 Base-Backbone interact. energy: -0.156 local terms energy: -28.186753 where: bonds (distance) C4'-P energy: -5.001 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.772 flat angles P-C4'-P energy: -4.117 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: 10, replica: 8 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -43.235680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.235680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.235680 (E_RNA) where: Base-Base interactions energy: -14.763 where: short stacking energy: -10.564 Base-Backbone interact. energy: -0.056 local terms energy: -28.416299 where: bonds (distance) C4'-P energy: -7.157 bonds (distance) P-C4' energy: -7.163 flat angles C4'-P-C4' energy: -5.233 flat angles P-C4'-P energy: -4.459 tors. eta vs tors. theta energy: -4.404 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: 7 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -62.854767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.854767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.854767 (E_RNA) where: Base-Base interactions energy: -25.058 where: short stacking energy: -22.037 Base-Backbone interact. energy: -0.000 local terms energy: -37.796957 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.849 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -7.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -60.340960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.340960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.340960 (E_RNA) where: Base-Base interactions energy: -29.862 where: short stacking energy: -29.862 Base-Backbone interact. energy: -0.000 local terms energy: -30.479108 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -4.663 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -0.991 tors. eta vs tors. theta energy: -9.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -56.472885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.472885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.472885 (E_RNA) where: Base-Base interactions energy: -24.590 where: short stacking energy: -23.546 Base-Backbone interact. energy: -0.001 local terms energy: -31.882204 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -6.167 flat angles P-C4'-P energy: -3.998 tors. eta vs tors. theta energy: -5.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -62.466944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.466944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.466944 (E_RNA) where: Base-Base interactions energy: -35.089 where: short stacking energy: -20.180 Base-Backbone interact. energy: -0.249 local terms energy: -27.129057 where: bonds (distance) C4'-P energy: -6.155 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -47.214721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.214721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.214721 (E_RNA) where: Base-Base interactions energy: -18.645 where: short stacking energy: -15.065 Base-Backbone interact. energy: -0.031 local terms energy: -28.538883 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -2.573 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: 6, replica: 4 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -46.537257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537257 (E_RNA) where: Base-Base interactions energy: -15.094 where: short stacking energy: -15.094 Base-Backbone interact. energy: -0.150 local terms energy: -31.293765 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -4.692 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: 7, replica: 3 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -48.922302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.922302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.922302 (E_RNA) where: Base-Base interactions energy: -18.816 where: short stacking energy: -18.816 Base-Backbone interact. energy: -0.000 local terms energy: -30.105646 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: 0.116 flat angles P-C4'-P energy: -6.424 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: 8, replica: 6 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -43.190245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.190245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.190245 (E_RNA) where: Base-Base interactions energy: -10.351 where: short stacking energy: -9.701 Base-Backbone interact. energy: -0.248 local terms energy: -32.591202 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -6.345 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -47.304263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.304263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.304263 (E_RNA) where: Base-Base interactions energy: -17.935 where: short stacking energy: -17.935 Base-Backbone interact. energy: -0.097 local terms energy: -29.272280 where: bonds (distance) C4'-P energy: -8.086 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -6.913 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: 9 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -41.435103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.435103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.435103 (E_RNA) where: Base-Base interactions energy: -22.373 where: short stacking energy: -12.682 Base-Backbone interact. energy: 0.120 local terms energy: -19.181691 where: bonds (distance) C4'-P energy: -4.329 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -6.201 flat angles P-C4'-P energy: -4.315 tors. eta vs tors. theta energy: 1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -61.092700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.092700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.092700 (E_RNA) where: Base-Base interactions energy: -27.319 where: short stacking energy: -20.951 Base-Backbone interact. energy: -0.103 local terms energy: -33.670111 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -6.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -65.065526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.065526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.065526 (E_RNA) where: Base-Base interactions energy: -39.420 where: short stacking energy: -20.644 Base-Backbone interact. energy: -0.222 local terms energy: -25.423583 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -6.558 flat angles C4'-P-C4' energy: -3.309 flat angles P-C4'-P energy: -5.098 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: 3, replica: 1 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -56.690186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.690186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.690186 (E_RNA) where: Base-Base interactions energy: -21.448 where: short stacking energy: -21.448 Base-Backbone interact. energy: -0.000 local terms energy: -35.241575 where: bonds (distance) C4'-P energy: -6.569 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -7.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -57.779218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.779218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.779218 (E_RNA) where: Base-Base interactions energy: -24.575 where: short stacking energy: -24.484 Base-Backbone interact. energy: -0.163 local terms energy: -33.042046 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.103 flat angles P-C4'-P energy: -5.356 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -62.147906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.147906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.147906 (E_RNA) where: Base-Base interactions energy: -25.607 where: short stacking energy: -25.607 Base-Backbone interact. energy: -0.028 local terms energy: -36.512162 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -50.370541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.370541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.370541 (E_RNA) where: Base-Base interactions energy: -21.038 where: short stacking energy: -21.038 Base-Backbone interact. energy: -0.000 local terms energy: -29.332251 where: bonds (distance) C4'-P energy: -5.522 bonds (distance) P-C4' energy: -4.235 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -5.742 tors. eta vs tors. theta energy: -5.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -54.771582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.771582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.771582 (E_RNA) where: Base-Base interactions energy: -22.269 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.000 local terms energy: -32.502628 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -5.502 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -39.940040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.940040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.940040 (E_RNA) where: Base-Base interactions energy: -13.674 where: short stacking energy: -13.475 Base-Backbone interact. energy: 0.197 local terms energy: -26.462885 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -5.606 flat angles P-C4'-P energy: -1.862 tors. eta vs tors. theta energy: -3.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -40.672625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.672625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.672625 (E_RNA) where: Base-Base interactions energy: -14.428 where: short stacking energy: -14.428 Base-Backbone interact. energy: -0.067 local terms energy: -26.177397 where: bonds (distance) C4'-P energy: -2.107 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -40.657850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.657850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.657850 (E_RNA) where: Base-Base interactions energy: -17.564 where: short stacking energy: -16.893 Base-Backbone interact. energy: -0.116 local terms energy: -22.978027 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -5.773 flat angles C4'-P-C4' energy: -7.563 flat angles P-C4'-P energy: -3.615 tors. eta vs tors. theta energy: -0.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -68.416873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.416873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.416873 (E_RNA) where: Base-Base interactions energy: -35.452 where: short stacking energy: -19.750 Base-Backbone interact. energy: -0.102 local terms energy: -32.862751 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.327 flat angles C4'-P-C4' energy: -7.853 flat angles P-C4'-P energy: -4.466 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: 2, replica: 7 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -62.829605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.829605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.829605 (E_RNA) where: Base-Base interactions energy: -30.639 where: short stacking energy: -25.023 Base-Backbone interact. energy: -0.030 local terms energy: -32.161054 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.653 flat angles P-C4'-P energy: -6.045 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: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -64.123305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.123305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.123305 (E_RNA) where: Base-Base interactions energy: -32.795 where: short stacking energy: -25.382 Base-Backbone interact. energy: -0.000 local terms energy: -31.327894 where: bonds (distance) C4'-P energy: -3.751 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -6.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -57.972991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.972991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.972991 (E_RNA) where: Base-Base interactions energy: -22.741 where: short stacking energy: -22.741 Base-Backbone interact. energy: -0.001 local terms energy: -35.231328 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -9.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -61.419129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.419129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.419129 (E_RNA) where: Base-Base interactions energy: -29.214 where: short stacking energy: -21.449 Base-Backbone interact. energy: -0.001 local terms energy: -32.204153 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -5.166 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: 6, replica: 5 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -48.585300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.585300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.585300 (E_RNA) where: Base-Base interactions energy: -21.751 where: short stacking energy: -20.782 Base-Backbone interact. energy: -0.003 local terms energy: -26.831856 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -2.107 flat angles P-C4'-P energy: -3.788 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: 7, replica: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -53.696479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.696479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.696479 (E_RNA) where: Base-Base interactions energy: -23.224 where: short stacking energy: -23.224 Base-Backbone interact. energy: -0.011 local terms energy: -30.461707 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -6.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -46.443462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.443462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.443462 (E_RNA) where: Base-Base interactions energy: -19.862 where: short stacking energy: -16.687 Base-Backbone interact. energy: -0.014 local terms energy: -26.567154 where: bonds (distance) C4'-P energy: -5.932 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.501 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -2.540 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: 9, replica: 9 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -47.182251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.182251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.182251 (E_RNA) where: Base-Base interactions energy: -21.282 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.000 local terms energy: -25.899846 where: bonds (distance) C4'-P energy: -5.720 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -4.542 tors. eta vs tors. theta energy: -3.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -38.688126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.688126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.688126 (E_RNA) where: Base-Base interactions energy: -12.666 where: short stacking energy: -9.433 Base-Backbone interact. energy: -0.098 local terms energy: -25.924142 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -5.252 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: 1, replica: 10 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -77.310250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.310250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.310250 (E_RNA) where: Base-Base interactions energy: -45.917 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.013 local terms energy: -31.380826 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -5.466 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: 2, replica: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -61.145239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.145239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.145239 (E_RNA) where: Base-Base interactions energy: -23.714 where: short stacking energy: -23.714 Base-Backbone interact. energy: -0.028 local terms energy: -37.403556 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -7.190 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: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -65.120348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.120348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.120348 (E_RNA) where: Base-Base interactions energy: -31.290 where: short stacking energy: -31.290 Base-Backbone interact. energy: -0.001 local terms energy: -33.828818 where: bonds (distance) C4'-P energy: -5.489 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -5.616 tors. eta vs tors. theta energy: -9.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -60.395847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.395847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.395847 (E_RNA) where: Base-Base interactions energy: -26.611 where: short stacking energy: -26.611 Base-Backbone interact. energy: -0.000 local terms energy: -33.784702 where: bonds (distance) C4'-P energy: -7.190 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -6.774 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: 5, replica: 3 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -58.722275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.722275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.722275 (E_RNA) where: Base-Base interactions energy: -25.126 where: short stacking energy: -22.128 Base-Backbone interact. energy: 0.840 local terms energy: -34.436091 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -48.727865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.727865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.727865 (E_RNA) where: Base-Base interactions energy: -19.550 where: short stacking energy: -17.461 Base-Backbone interact. energy: -0.012 local terms energy: -29.165849 where: bonds (distance) C4'-P energy: -4.284 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -4.073 tors. eta vs tors. theta energy: -5.330 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: 5 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -40.893515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.893515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.893515 (E_RNA) where: Base-Base interactions energy: -12.965 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.043 local terms energy: -27.886001 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -6.771 tors. eta vs tors. theta energy: -2.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -47.720643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720643 (E_RNA) where: Base-Base interactions energy: -17.612 where: short stacking energy: -17.612 Base-Backbone interact. energy: -0.000 local terms energy: -30.108195 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -2.993 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: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -51.059267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.059267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.059267 (E_RNA) where: Base-Base interactions energy: -15.675 where: short stacking energy: -15.675 Base-Backbone interact. energy: -0.000 local terms energy: -35.384496 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -3.809 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: 10, replica: 6 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -44.356769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.356769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.356769 (E_RNA) where: Base-Base interactions energy: -15.123 where: short stacking energy: -15.123 Base-Backbone interact. energy: -0.028 local terms energy: -29.205505 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -5.017 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -78.282259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.282259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.282259 (E_RNA) where: Base-Base interactions energy: -42.371 where: short stacking energy: -24.681 Base-Backbone interact. energy: -0.000 local terms energy: -35.910823 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -7.325 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: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -59.613962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.613962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.613962 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.064 local terms energy: -32.972254 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -53.480558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.480558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.480558 (E_RNA) where: Base-Base interactions energy: -27.805 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.028 local terms energy: -25.647734 where: bonds (distance) C4'-P energy: -6.973 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -8.090 flat angles P-C4'-P energy: 1.436 tors. eta vs tors. theta energy: -3.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -56.514385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.514385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.514385 (E_RNA) where: Base-Base interactions energy: -25.962 where: short stacking energy: -25.962 Base-Backbone interact. energy: -0.000 local terms energy: -30.552623 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -5.912 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: 5, replica: 3 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -53.178107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.178107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.178107 (E_RNA) where: Base-Base interactions energy: -18.425 where: short stacking energy: -18.425 Base-Backbone interact. energy: -0.295 local terms energy: -34.458044 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -2.413 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -51.277708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.277708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.277708 (E_RNA) where: Base-Base interactions energy: -21.315 where: short stacking energy: -21.315 Base-Backbone interact. energy: -0.000 local terms energy: -29.962982 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.265 flat angles P-C4'-P energy: -1.741 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -51.927248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.927248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.927248 (E_RNA) where: Base-Base interactions energy: -20.869 where: short stacking energy: -17.895 Base-Backbone interact. energy: 1.067 local terms energy: -32.124613 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.851 flat angles P-C4'-P energy: -4.201 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: 8, replica: 5 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -49.552599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.552599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.552599 (E_RNA) where: Base-Base interactions energy: -20.124 where: short stacking energy: -20.124 Base-Backbone interact. energy: -0.000 local terms energy: -29.428615 where: bonds (distance) C4'-P energy: -5.618 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -3.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -44.852200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.852200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.852200 (E_RNA) where: Base-Base interactions energy: -16.640 where: short stacking energy: -11.265 Base-Backbone interact. energy: -0.001 local terms energy: -28.211491 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -6.404 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -42.829576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.829576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.829576 (E_RNA) where: Base-Base interactions energy: -16.875 where: short stacking energy: -16.791 Base-Backbone interact. energy: -0.001 local terms energy: -25.954154 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -5.904 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -65.497040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.497040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.497040 (E_RNA) where: Base-Base interactions energy: -29.250 where: short stacking energy: -29.038 Base-Backbone interact. energy: -0.000 local terms energy: -36.247215 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -7.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -51.662821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.662821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.662821 (E_RNA) where: Base-Base interactions energy: -23.273 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.078 local terms energy: -28.311956 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -4.234 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: 3, replica: 1 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -60.524843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.524843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.524843 (E_RNA) where: Base-Base interactions energy: -24.201 where: short stacking energy: -24.201 Base-Backbone interact. energy: -0.004 local terms energy: -36.320370 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.043 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -7.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -56.417743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.417743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.417743 (E_RNA) where: Base-Base interactions energy: -25.816 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.060 local terms energy: -30.541760 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -4.358 tors. eta vs tors. theta energy: -4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -45.332086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.332086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.332086 (E_RNA) where: Base-Base interactions energy: -19.428 where: short stacking energy: -19.428 Base-Backbone interact. energy: -0.017 local terms energy: -25.887059 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -6.480 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -3.094 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: 6, replica: 9 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -64.947258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.947258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.947258 (E_RNA) where: Base-Base interactions energy: -29.016 where: short stacking energy: -27.313 Base-Backbone interact. energy: -0.006 local terms energy: -35.925395 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -5.191 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -10.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -41.860915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.860915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.860915 (E_RNA) where: Base-Base interactions energy: -15.025 where: short stacking energy: -15.025 Base-Backbone interact. energy: -0.021 local terms energy: -26.814465 where: bonds (distance) C4'-P energy: -6.333 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -4.715 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -46.901912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.901912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.901912 (E_RNA) where: Base-Base interactions energy: -24.042 where: short stacking energy: -16.964 Base-Backbone interact. energy: -0.711 local terms energy: -22.148864 where: bonds (distance) C4'-P energy: -6.304 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -3.835 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -0.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -42.200698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.200698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.200698 (E_RNA) where: Base-Base interactions energy: -15.156 where: short stacking energy: -15.156 Base-Backbone interact. energy: -0.057 local terms energy: -26.988136 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -1.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -44.879400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.879400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.879400 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -13.766 Base-Backbone interact. energy: -0.031 local terms energy: -31.082727 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -5.436 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -57.077448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.077448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.077448 (E_RNA) where: Base-Base interactions energy: -23.314 where: short stacking energy: -23.314 Base-Backbone interact. energy: -0.003 local terms energy: -33.760348 where: bonds (distance) C4'-P energy: -5.112 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.865 flat angles P-C4'-P energy: -6.759 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: 2, replica: 10 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -55.776052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.776052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.776052 (E_RNA) where: Base-Base interactions energy: -26.939 where: short stacking energy: -26.939 Base-Backbone interact. energy: -0.019 local terms energy: -28.818218 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -9.166 flat angles P-C4'-P energy: 0.097 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: 3, replica: 3 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -66.797127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.797127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.797127 (E_RNA) where: Base-Base interactions energy: -30.565 where: short stacking energy: -21.810 Base-Backbone interact. energy: -0.003 local terms energy: -36.229030 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -7.030 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: 4, replica: 1 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -59.876880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.876880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.876880 (E_RNA) where: Base-Base interactions energy: -23.977 where: short stacking energy: -23.801 Base-Backbone interact. energy: -0.000 local terms energy: -35.899595 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -5.626 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: 9 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -51.941458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.941458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.941458 (E_RNA) where: Base-Base interactions energy: -18.901 where: short stacking energy: -18.901 Base-Backbone interact. energy: -0.000 local terms energy: -33.039947 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -6.049 tors. eta vs tors. theta energy: -3.982 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: 7 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -46.401465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.401465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.401465 (E_RNA) where: Base-Base interactions energy: -18.964 where: short stacking energy: -18.964 Base-Backbone interact. energy: -0.004 local terms energy: -27.433472 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -3.487 flat angles C4'-P-C4' energy: -2.947 flat angles P-C4'-P energy: -6.522 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: 34 Temperature: 1.200000 Total energy: -46.974347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.974347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.974347 (E_RNA) where: Base-Base interactions energy: -15.533 where: short stacking energy: -14.570 Base-Backbone interact. energy: -0.030 local terms energy: -31.411007 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -5.760 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: 8, replica: 8 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -45.256210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.256210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.256210 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.289 Base-Backbone interact. energy: -0.160 local terms energy: -25.635380 where: bonds (distance) C4'-P energy: -5.221 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -2.035 flat angles P-C4'-P energy: -6.174 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: 9, replica: 4 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -43.957162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.957162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.957162 (E_RNA) where: Base-Base interactions energy: -16.535 where: short stacking energy: -8.028 Base-Backbone interact. energy: 0.197 local terms energy: -27.619182 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.823 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: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -40.702346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.702346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.702346 (E_RNA) where: Base-Base interactions energy: -10.773 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.005 local terms energy: -29.923721 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.951 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -63.647109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.647109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.647109 (E_RNA) where: Base-Base interactions energy: -27.426 where: short stacking energy: -23.852 Base-Backbone interact. energy: -0.040 local terms energy: -36.180922 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -6.976 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: 2, replica: 3 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -61.782335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.782335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.782335 (E_RNA) where: Base-Base interactions energy: -26.794 where: short stacking energy: -26.794 Base-Backbone interact. energy: -0.001 local terms energy: -34.987406 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -6.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -60.205577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.205577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.205577 (E_RNA) where: Base-Base interactions energy: -23.255 where: short stacking energy: -23.255 Base-Backbone interact. energy: -0.000 local terms energy: -36.950194 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.290 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -7.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -56.238970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.238970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.238970 (E_RNA) where: Base-Base interactions energy: -20.123 where: short stacking energy: -20.123 Base-Backbone interact. energy: -0.000 local terms energy: -36.115788 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -6.873 tors. eta vs tors. theta energy: -6.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -52.018317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.018317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.018317 (E_RNA) where: Base-Base interactions energy: -20.843 where: short stacking energy: -17.179 Base-Backbone interact. energy: -0.156 local terms energy: -31.019812 where: bonds (distance) C4'-P energy: -6.755 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -4.916 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -63.191742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.191742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.191742 (E_RNA) where: Base-Base interactions energy: -33.710 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.005 local terms energy: -29.477077 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -2.746 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: 7 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -48.030355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.030355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.030355 (E_RNA) where: Base-Base interactions energy: -19.535 where: short stacking energy: -19.445 Base-Backbone interact. energy: -0.022 local terms energy: -28.473176 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -3.782 flat angles P-C4'-P energy: -3.551 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: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -46.223496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.223496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.223496 (E_RNA) where: Base-Base interactions energy: -19.601 where: short stacking energy: -18.095 Base-Backbone interact. energy: 0.292 local terms energy: -26.914477 where: bonds (distance) C4'-P energy: -3.987 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -5.938 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: 9, replica: 8 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -46.437780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.437780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.437780 (E_RNA) where: Base-Base interactions energy: -18.855 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.008 local terms energy: -27.575021 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -2.111 tors. eta vs tors. theta energy: -2.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -41.330595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.330595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.330595 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.460 local terms energy: -20.356228 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -5.417 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: 2.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -64.967391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.967391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.967391 (E_RNA) where: Base-Base interactions energy: -26.584 where: short stacking energy: -26.584 Base-Backbone interact. energy: -0.048 local terms energy: -38.335528 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -5.870 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: 2, replica: 2 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -75.674980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.674980 (E_RNA) where: Base-Base interactions energy: -41.413 where: short stacking energy: -25.137 Base-Backbone interact. energy: -0.002 local terms energy: -34.259751 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -9.095 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -53.515105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.515105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.515105 (E_RNA) where: Base-Base interactions energy: -22.339 where: short stacking energy: -22.339 Base-Backbone interact. energy: -0.018 local terms energy: -31.158386 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -6.613 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -3.403 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: 4, replica: 10 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -54.660934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.660934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.660934 (E_RNA) where: Base-Base interactions energy: -23.092 where: short stacking energy: -20.874 Base-Backbone interact. energy: 0.539 local terms energy: -32.107504 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -4.713 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: 5, replica: 6 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -52.033335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.033335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.033335 (E_RNA) where: Base-Base interactions energy: -21.726 where: short stacking energy: -21.726 Base-Backbone interact. energy: -0.000 local terms energy: -30.307141 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -5.552 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -51.145747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.145747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.145747 (E_RNA) where: Base-Base interactions energy: -18.855 where: short stacking energy: -18.855 Base-Backbone interact. energy: -0.000 local terms energy: -32.290544 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -49.505030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505030 (E_RNA) where: Base-Base interactions energy: -25.954 where: short stacking energy: -18.761 Base-Backbone interact. energy: -0.015 local terms energy: -23.536188 where: bonds (distance) C4'-P energy: -2.211 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -0.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -48.417500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.417500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.417500 (E_RNA) where: Base-Base interactions energy: -17.359 where: short stacking energy: -17.359 Base-Backbone interact. energy: -0.000 local terms energy: -31.058312 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -2.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -50.058069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.058069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.058069 (E_RNA) where: Base-Base interactions energy: -21.727 where: short stacking energy: -21.727 Base-Backbone interact. energy: 0.075 local terms energy: -28.405812 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -3.683 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -36.022397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.022397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.022397 (E_RNA) where: Base-Base interactions energy: -8.056 where: short stacking energy: -8.056 Base-Backbone interact. energy: 0.145 local terms energy: -28.111595 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.364 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -65.247447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.247447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.247447 (E_RNA) where: Base-Base interactions energy: -30.710 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.001 local terms energy: -34.536247 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.208 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -80.455342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.455342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.455342 (E_RNA) where: Base-Base interactions energy: -45.146 where: short stacking energy: -29.759 Base-Backbone interact. energy: -0.001 local terms energy: -35.308558 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -5.455 tors. eta vs tors. theta energy: -7.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -63.228634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.228634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.228634 (E_RNA) where: Base-Base interactions energy: -28.150 where: short stacking energy: -28.150 Base-Backbone interact. energy: -0.001 local terms energy: -35.077814 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -8.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -46.322194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.322194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.322194 (E_RNA) where: Base-Base interactions energy: -18.564 where: short stacking energy: -18.564 Base-Backbone interact. energy: -0.001 local terms energy: -27.757403 where: bonds (distance) C4'-P energy: -4.719 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.181 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: 5, replica: 10 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -58.996789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.996789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.996789 (E_RNA) where: Base-Base interactions energy: -29.944 where: short stacking energy: -26.102 Base-Backbone interact. energy: -0.007 local terms energy: -29.046024 where: bonds (distance) C4'-P energy: -7.459 bonds (distance) P-C4' energy: -5.510 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -4.776 tors. eta vs tors. theta energy: -6.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -60.013344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.013344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.013344 (E_RNA) where: Base-Base interactions energy: -26.282 where: short stacking energy: -26.282 Base-Backbone interact. energy: -0.002 local terms energy: -33.729547 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.983 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -3.540 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -48.698199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.698199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.698199 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -18.788 Base-Backbone interact. energy: -0.069 local terms energy: -29.841260 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -5.398 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: 8, replica: 5 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -42.770266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.770266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.770266 (E_RNA) where: Base-Base interactions energy: -18.150 where: short stacking energy: -17.092 Base-Backbone interact. energy: -0.013 local terms energy: -24.607477 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -6.385 flat angles P-C4'-P energy: -0.574 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: 9, replica: 7 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -48.566608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.566608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.566608 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.083 local terms energy: -29.392278 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -5.698 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -4.367 tors. eta vs tors. theta energy: -5.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -41.408089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.408089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.408089 (E_RNA) where: Base-Base interactions energy: -15.848 where: short stacking energy: -15.848 Base-Backbone interact. energy: -0.003 local terms energy: -25.557575 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -5.142 flat angles P-C4'-P energy: -3.198 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -80.101962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.101962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.101962 (E_RNA) where: Base-Base interactions energy: -44.418 where: short stacking energy: -22.772 Base-Backbone interact. energy: -0.009 local terms energy: -35.674895 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -5.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -59.457652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.457652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.457652 (E_RNA) where: Base-Base interactions energy: -26.878 where: short stacking energy: -24.908 Base-Backbone interact. energy: -0.018 local terms energy: -32.561306 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -4.584 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: 1 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -69.490199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.490199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.490199 (E_RNA) where: Base-Base interactions energy: -35.680 where: short stacking energy: -21.861 Base-Backbone interact. energy: -0.037 local terms energy: -33.772473 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.215 flat angles P-C4'-P energy: -3.938 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: 4, replica: 6 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -51.453508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.453508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.453508 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.001 local terms energy: -31.368962 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -3.730 flat angles P-C4'-P energy: -6.597 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -50.775394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.775394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.775394 (E_RNA) where: Base-Base interactions energy: -22.909 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.000 local terms energy: -27.866638 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -3.574 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: 6, replica: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -47.013685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.013685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.013685 (E_RNA) where: Base-Base interactions energy: -17.677 where: short stacking energy: -17.407 Base-Backbone interact. energy: 0.140 local terms energy: -29.477095 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -3.316 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: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -51.492612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.492612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.492612 (E_RNA) where: Base-Base interactions energy: -20.747 where: short stacking energy: -20.747 Base-Backbone interact. energy: -0.150 local terms energy: -30.595229 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -3.990 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: 9 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -41.692002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.692002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.692002 (E_RNA) where: Base-Base interactions energy: -13.648 where: short stacking energy: -13.648 Base-Backbone interact. energy: -0.063 local terms energy: -27.981465 where: bonds (distance) C4'-P energy: -6.258 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -5.957 flat angles P-C4'-P energy: -6.435 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: 9, replica: 8 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -50.401053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.401053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.401053 (E_RNA) where: Base-Base interactions energy: -21.180 where: short stacking energy: -21.180 Base-Backbone interact. energy: -0.012 local terms energy: -29.209023 where: bonds (distance) C4'-P energy: -7.799 bonds (distance) P-C4' energy: -4.874 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -2.936 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: 10, replica: 7 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -40.558931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.558931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.558931 (E_RNA) where: Base-Base interactions energy: -15.122 where: short stacking energy: -15.122 Base-Backbone interact. energy: -0.001 local terms energy: -25.436631 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -5.506 flat angles C4'-P-C4' energy: -5.554 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -4.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -76.170556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.170556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.170556 (E_RNA) where: Base-Base interactions energy: -40.540 where: short stacking energy: -20.199 Base-Backbone interact. energy: -0.002 local terms energy: -35.628127 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.698 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: 2, replica: 3 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -58.260240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.260240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.260240 (E_RNA) where: Base-Base interactions energy: -25.600 where: short stacking energy: -25.600 Base-Backbone interact. energy: 1.123 local terms energy: -33.783030 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -4.021 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: 1 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -55.534401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.534401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.534401 (E_RNA) where: Base-Base interactions energy: -20.265 where: short stacking energy: -18.272 Base-Backbone interact. energy: -0.004 local terms energy: -35.265625 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.395 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -3.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -52.930721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.930721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.930721 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.078 local terms energy: -29.364279 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -7.459 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -3.292 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: 5, replica: 6 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -53.940546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.940546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.940546 (E_RNA) where: Base-Base interactions energy: -19.781 where: short stacking energy: -9.709 Base-Backbone interact. energy: -0.044 local terms energy: -34.115271 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -6.345 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: 6, replica: 5 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -49.585993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.585993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.585993 (E_RNA) where: Base-Base interactions energy: -20.121 where: short stacking energy: -20.121 Base-Backbone interact. energy: -0.176 local terms energy: -29.288869 where: bonds (distance) C4'-P energy: -4.549 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -5.077 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -45.936452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.936452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.936452 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -10.386 Base-Backbone interact. energy: -0.237 local terms energy: -23.580725 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -2.840 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: 8, replica: 8 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -44.051926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.051926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.051926 (E_RNA) where: Base-Base interactions energy: -14.268 where: short stacking energy: -14.268 Base-Backbone interact. energy: -0.018 local terms energy: -29.765914 where: bonds (distance) C4'-P energy: -4.823 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -6.479 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: 9, replica: 9 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -44.807482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.807482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.807482 (E_RNA) where: Base-Base interactions energy: -16.030 where: short stacking energy: -16.030 Base-Backbone interact. energy: -0.139 local terms energy: -28.638501 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -3.236 flat angles P-C4'-P energy: -5.483 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: 7 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -42.927984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.927984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.927984 (E_RNA) where: Base-Base interactions energy: -14.872 where: short stacking energy: -14.872 Base-Backbone interact. energy: -0.000 local terms energy: -28.055742 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.230 flat angles P-C4'-P energy: -2.189 tors. eta vs tors. theta energy: -4.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -71.402399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.402399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.402399 (E_RNA) where: Base-Base interactions energy: -33.358 where: short stacking energy: -33.358 Base-Backbone interact. energy: -0.000 local terms energy: -38.044402 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -9.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -80.736703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.736703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.736703 (E_RNA) where: Base-Base interactions energy: -41.747 where: short stacking energy: -29.315 Base-Backbone interact. energy: 0.104 local terms energy: -39.092881 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -9.043 flat angles P-C4'-P energy: -6.853 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: 1 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -57.274073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.274073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.274073 (E_RNA) where: Base-Base interactions energy: -21.900 where: short stacking energy: -21.900 Base-Backbone interact. energy: -0.003 local terms energy: -35.370987 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -6.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -52.508917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.508917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.508917 (E_RNA) where: Base-Base interactions energy: -23.130 where: short stacking energy: -22.418 Base-Backbone interact. energy: -0.048 local terms energy: -29.330916 where: bonds (distance) C4'-P energy: -6.304 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -4.417 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: 5, replica: 6 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -54.684929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.684929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.684929 (E_RNA) where: Base-Base interactions energy: -24.232 where: short stacking energy: -10.472 Base-Backbone interact. energy: -0.101 local terms energy: -30.352176 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.007 flat angles P-C4'-P energy: -3.530 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: 6, replica: 5 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -48.414138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.414138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.414138 (E_RNA) where: Base-Base interactions energy: -18.905 where: short stacking energy: -18.905 Base-Backbone interact. energy: 0.191 local terms energy: -29.700857 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -3.357 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: 7, replica: 8 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -50.580986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.580986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.580986 (E_RNA) where: Base-Base interactions energy: -23.381 where: short stacking energy: -16.206 Base-Backbone interact. energy: -0.023 local terms energy: -27.176851 where: bonds (distance) C4'-P energy: -3.253 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -5.665 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: 8, replica: 10 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -60.905416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.905416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.905416 (E_RNA) where: Base-Base interactions energy: -28.181 where: short stacking energy: -28.181 Base-Backbone interact. energy: -0.000 local terms energy: -32.724253 where: bonds (distance) C4'-P energy: -3.390 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.755 flat angles P-C4'-P energy: -4.600 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: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -37.411973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.411973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.411973 (E_RNA) where: Base-Base interactions energy: -9.918 where: short stacking energy: -9.918 Base-Backbone interact. energy: -0.017 local terms energy: -27.477549 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -2.803 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: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -42.348593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.348593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.348593 (E_RNA) where: Base-Base interactions energy: -11.480 where: short stacking energy: -11.480 Base-Backbone interact. energy: -0.023 local terms energy: -30.845874 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -2.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -65.012707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.012707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.012707 (E_RNA) where: Base-Base interactions energy: -29.343 where: short stacking energy: -29.343 Base-Backbone interact. energy: -0.000 local terms energy: -35.669549 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.209 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -3.410 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -82.096223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.096223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.096223 (E_RNA) where: Base-Base interactions energy: -44.270 where: short stacking energy: -25.668 Base-Backbone interact. energy: -0.001 local terms energy: -37.825152 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -57.806949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.806949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.806949 (E_RNA) where: Base-Base interactions energy: -24.375 where: short stacking energy: -24.375 Base-Backbone interact. energy: -0.000 local terms energy: -33.431507 where: bonds (distance) C4'-P energy: -3.523 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.778 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: -6.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -58.777955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.777955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.777955 (E_RNA) where: Base-Base interactions energy: -22.439 where: short stacking energy: -22.091 Base-Backbone interact. energy: -0.001 local terms energy: -36.338390 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.826 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -5.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -52.028214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.028214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.028214 (E_RNA) where: Base-Base interactions energy: -19.993 where: short stacking energy: -18.949 Base-Backbone interact. energy: -0.005 local terms energy: -32.030315 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -3.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -45.074572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.074572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.074572 (E_RNA) where: Base-Base interactions energy: -15.895 where: short stacking energy: -15.895 Base-Backbone interact. energy: -0.029 local terms energy: -29.150529 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -4.276 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -5.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -49.374900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.374900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.374900 (E_RNA) where: Base-Base interactions energy: -17.136 where: short stacking energy: -17.136 Base-Backbone interact. energy: -0.008 local terms energy: -32.231256 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -41.631333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.631333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.631333 (E_RNA) where: Base-Base interactions energy: -16.925 where: short stacking energy: -16.925 Base-Backbone interact. energy: 0.028 local terms energy: -24.734504 where: bonds (distance) C4'-P energy: -7.407 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -2.125 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: 9, replica: 10 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -39.094540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.094540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.094540 (E_RNA) where: Base-Base interactions energy: -15.203 where: short stacking energy: -15.203 Base-Backbone interact. energy: 0.209 local terms energy: -24.101243 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -2.857 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -48.392068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.392068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.392068 (E_RNA) where: Base-Base interactions energy: -20.839 where: short stacking energy: -20.839 Base-Backbone interact. energy: -0.000 local terms energy: -27.552522 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -5.083 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -74.514224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.514224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.514224 (E_RNA) where: Base-Base interactions energy: -37.481 where: short stacking energy: -26.515 Base-Backbone interact. energy: -0.007 local terms energy: -37.025996 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.831 flat angles P-C4'-P energy: -4.321 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -57.572805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.572805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.572805 (E_RNA) where: Base-Base interactions energy: -28.887 where: short stacking energy: -18.347 Base-Backbone interact. energy: -1.210 local terms energy: -27.475704 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -7.757 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -0.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -59.302581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.302581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.302581 (E_RNA) where: Base-Base interactions energy: -21.437 where: short stacking energy: -21.437 Base-Backbone interact. energy: -0.000 local terms energy: -37.865835 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.051 tors. eta vs tors. theta energy: -8.211 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: 1 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -59.844746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.844746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.844746 (E_RNA) where: Base-Base interactions energy: -24.495 where: short stacking energy: -18.899 Base-Backbone interact. energy: -0.006 local terms energy: -35.344393 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.389 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -49.083299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.083299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.083299 (E_RNA) where: Base-Base interactions energy: -17.232 where: short stacking energy: -17.232 Base-Backbone interact. energy: -0.000 local terms energy: -31.851533 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.373 flat angles P-C4'-P energy: -6.044 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: 6, replica: 6 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -60.971739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.971739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.971739 (E_RNA) where: Base-Base interactions energy: -22.767 where: short stacking energy: -22.767 Base-Backbone interact. energy: -0.008 local terms energy: -38.196679 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -5.591 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -8.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -45.517570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.517570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.517570 (E_RNA) where: Base-Base interactions energy: -20.604 where: short stacking energy: -20.037 Base-Backbone interact. energy: -0.001 local terms energy: -24.912975 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -2.720 flat angles P-C4'-P energy: -2.976 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: 8 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -49.514872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.514872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.514872 (E_RNA) where: Base-Base interactions energy: -23.827 where: short stacking energy: -18.623 Base-Backbone interact. energy: 0.029 local terms energy: -25.716972 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -2.711 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: 9, replica: 9 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -39.055542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.055542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.055542 (E_RNA) where: Base-Base interactions energy: -15.200 where: short stacking energy: -15.200 Base-Backbone interact. energy: -0.001 local terms energy: -23.854514 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -5.601 flat angles C4'-P-C4' energy: -5.533 flat angles P-C4'-P energy: -4.111 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: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -42.277569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.277569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.277569 (E_RNA) where: Base-Base interactions energy: -13.845 where: short stacking energy: -13.845 Base-Backbone interact. energy: -0.116 local terms energy: -28.316647 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -78.086027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.086027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.086027 (E_RNA) where: Base-Base interactions energy: -44.142 where: short stacking energy: -25.236 Base-Backbone interact. energy: 1.161 local terms energy: -35.104305 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.227 flat angles C4'-P-C4' energy: -7.869 flat angles P-C4'-P energy: -7.420 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: 2, replica: 4 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -60.051985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.051985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.051985 (E_RNA) where: Base-Base interactions energy: -27.362 where: short stacking energy: -24.423 Base-Backbone interact. energy: -0.000 local terms energy: -32.689813 where: bonds (distance) C4'-P energy: -4.028 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -8.528 flat angles P-C4'-P energy: -3.216 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -63.194177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.194177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.194177 (E_RNA) where: Base-Base interactions energy: -30.631 where: short stacking energy: -30.631 Base-Backbone interact. energy: -0.009 local terms energy: -32.553790 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -3.760 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: 4, replica: 5 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -64.099231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.099231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.099231 (E_RNA) where: Base-Base interactions energy: -29.774 where: short stacking energy: -29.774 Base-Backbone interact. energy: -0.000 local terms energy: -34.325033 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -5.925 flat angles C4'-P-C4' energy: -8.797 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -7.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -49.299125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.299125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.299125 (E_RNA) where: Base-Base interactions energy: -28.201 where: short stacking energy: -6.303 Base-Backbone interact. energy: -0.089 local terms energy: -21.008444 where: bonds (distance) C4'-P energy: -4.777 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -3.736 flat angles P-C4'-P energy: -1.038 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: 6, replica: 7 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -44.573360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.573360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.573360 (E_RNA) where: Base-Base interactions energy: -19.110 where: short stacking energy: -15.441 Base-Backbone interact. energy: 0.083 local terms energy: -25.546919 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -8.570 flat angles P-C4'-P energy: -3.507 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: 7, replica: 6 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -45.506074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.506074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.506074 (E_RNA) where: Base-Base interactions energy: -18.933 where: short stacking energy: -18.933 Base-Backbone interact. energy: -0.080 local terms energy: -26.492831 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -4.339 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -4.138 tors. eta vs tors. theta energy: -2.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -42.902538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.902538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.902538 (E_RNA) where: Base-Base interactions energy: -18.883 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.081 local terms energy: -23.938895 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -2.957 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -6.151 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: 9, replica: 8 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -39.653145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.653145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.653145 (E_RNA) where: Base-Base interactions energy: -13.649 where: short stacking energy: -13.649 Base-Backbone interact. energy: -0.186 local terms energy: -25.818411 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -5.195 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: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -39.036671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.036671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.036671 (E_RNA) where: Base-Base interactions energy: -17.410 where: short stacking energy: -12.624 Base-Backbone interact. energy: -0.013 local terms energy: -21.613399 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -5.695 flat angles C4'-P-C4' energy: -5.265 flat angles P-C4'-P energy: -3.323 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: 1, replica: 4 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -66.067410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.067410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.067410 (E_RNA) where: Base-Base interactions energy: -28.562 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.000 local terms energy: -37.505001 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -3.999 tors. eta vs tors. theta energy: -8.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -78.383304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.383304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.383304 (E_RNA) where: Base-Base interactions energy: -46.631 where: short stacking energy: -25.527 Base-Backbone interact. energy: -0.038 local terms energy: -31.713987 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -2.268 tors. eta vs tors. theta energy: -5.107 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: 5 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -55.322248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.322248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.322248 (E_RNA) where: Base-Base interactions energy: -26.496 where: short stacking energy: -18.315 Base-Backbone interact. energy: -0.001 local terms energy: -28.824652 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.744 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -51.388992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.388992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.388992 (E_RNA) where: Base-Base interactions energy: -17.446 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.001 local terms energy: -33.942336 where: bonds (distance) C4'-P energy: -6.930 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -5.201 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: 7 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -59.528302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.528302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.528302 (E_RNA) where: Base-Base interactions energy: -28.668 where: short stacking energy: -14.604 Base-Backbone interact. energy: -0.833 local terms energy: -30.027530 where: bonds (distance) C4'-P energy: -6.956 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -51.938761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.938761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.938761 (E_RNA) where: Base-Base interactions energy: -21.798 where: short stacking energy: -21.798 Base-Backbone interact. energy: -0.000 local terms energy: -30.140484 where: bonds (distance) C4'-P energy: -4.595 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.439 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -44.990057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.990057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.990057 (E_RNA) where: Base-Base interactions energy: -14.478 where: short stacking energy: -14.478 Base-Backbone interact. energy: -0.093 local terms energy: -30.419250 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.464 flat angles P-C4'-P energy: -1.474 tors. eta vs tors. theta energy: -3.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -48.692281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.692281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.692281 (E_RNA) where: Base-Base interactions energy: -15.842 where: short stacking energy: -15.253 Base-Backbone interact. energy: -0.000 local terms energy: -32.849817 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.374 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -44.632194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.632194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.632194 (E_RNA) where: Base-Base interactions energy: -14.781 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.000 local terms energy: -29.850522 where: bonds (distance) C4'-P energy: -4.756 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -6.985 tors. eta vs tors. theta energy: -1.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -38.104320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.104320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.104320 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -9.554 Base-Backbone interact. energy: -0.054 local terms energy: -21.572006 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -1.583 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: 1, replica: 4 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -65.437602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.437602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.437602 (E_RNA) where: Base-Base interactions energy: -32.759 where: short stacking energy: -25.164 Base-Backbone interact. energy: -0.000 local terms energy: -32.677883 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.041 flat angles P-C4'-P energy: -3.828 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: 2, replica: 5 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -79.544705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.544705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.544705 (E_RNA) where: Base-Base interactions energy: -43.839 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.866 local terms energy: -34.839856 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -9.085 flat angles P-C4'-P energy: -5.802 tors. eta vs tors. theta energy: -3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -67.742948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.742948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.742948 (E_RNA) where: Base-Base interactions energy: -30.857 where: short stacking energy: -30.857 Base-Backbone interact. energy: -0.028 local terms energy: -36.857436 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -6.247 tors. eta vs tors. theta energy: -10.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -54.706065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.706065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.706065 (E_RNA) where: Base-Base interactions energy: -25.877 where: short stacking energy: -17.527 Base-Backbone interact. energy: -0.031 local terms energy: -28.797907 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -6.261 flat angles P-C4'-P energy: -5.875 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: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -58.786473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.786473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.786473 (E_RNA) where: Base-Base interactions energy: -26.393 where: short stacking energy: -14.700 Base-Backbone interact. energy: -0.008 local terms energy: -32.385743 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.087 flat angles C4'-P-C4' energy: -8.254 flat angles P-C4'-P energy: -4.946 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: 6, replica: 6 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -56.180701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.180701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.180701 (E_RNA) where: Base-Base interactions energy: -20.461 where: short stacking energy: -20.461 Base-Backbone interact. energy: -0.499 local terms energy: -35.220841 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -3.210 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: 7, replica: 1 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -42.651175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.651175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.651175 (E_RNA) where: Base-Base interactions energy: -12.138 where: short stacking energy: -12.138 Base-Backbone interact. energy: -0.001 local terms energy: -30.512916 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.369 flat angles P-C4'-P energy: -6.783 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: 45 Temperature: 1.250000 Total energy: -51.022104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.022104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.022104 (E_RNA) where: Base-Base interactions energy: -19.162 where: short stacking energy: -19.162 Base-Backbone interact. energy: -0.137 local terms energy: -31.723691 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -4.570 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -48.423153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.423153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.423153 (E_RNA) where: Base-Base interactions energy: -20.704 where: short stacking energy: -20.704 Base-Backbone interact. energy: -0.000 local terms energy: -27.719119 where: bonds (distance) C4'-P energy: -4.325 bonds (distance) P-C4' energy: -2.840 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -6.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -44.983441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.983441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.983441 (E_RNA) where: Base-Base interactions energy: -13.286 where: short stacking energy: -13.286 Base-Backbone interact. energy: -0.002 local terms energy: -31.696051 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -3.641 tors. eta vs tors. theta energy: -3.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -65.266047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.266047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.266047 (E_RNA) where: Base-Base interactions energy: -29.495 where: short stacking energy: -29.495 Base-Backbone interact. energy: -0.002 local terms energy: -35.768535 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -5.342 tors. eta vs tors. theta energy: -7.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -55.073107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.073107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.073107 (E_RNA) where: Base-Base interactions energy: -22.968 where: short stacking energy: -22.968 Base-Backbone interact. energy: -0.099 local terms energy: -32.006054 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -2.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -56.437478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.437478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.437478 (E_RNA) where: Base-Base interactions energy: -20.906 where: short stacking energy: -20.906 Base-Backbone interact. energy: -0.005 local terms energy: -35.526344 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.344 flat angles P-C4'-P energy: -6.132 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -55.640597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.640597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.640597 (E_RNA) where: Base-Base interactions energy: -23.681 where: short stacking energy: -15.891 Base-Backbone interact. energy: -0.335 local terms energy: -31.624337 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -4.581 flat angles P-C4'-P energy: -6.316 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: 5, replica: 6 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -55.150497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.150497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.150497 (E_RNA) where: Base-Base interactions energy: -21.178 where: short stacking energy: -21.178 Base-Backbone interact. energy: -0.001 local terms energy: -33.971958 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -6.112 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: 6, replica: 3 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -53.371872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.371872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.371872 (E_RNA) where: Base-Base interactions energy: -23.030 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.000 local terms energy: -30.341854 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -6.470 flat angles P-C4'-P energy: -3.841 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -46.023941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.023941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.023941 (E_RNA) where: Base-Base interactions energy: -18.179 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.007 local terms energy: -27.837522 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: 0.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -45.947310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.947310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.947310 (E_RNA) where: Base-Base interactions energy: -16.624 where: short stacking energy: -16.624 Base-Backbone interact. energy: -0.084 local terms energy: -29.239445 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.226 flat angles P-C4'-P energy: -0.458 tors. eta vs tors. theta energy: -6.461 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: 9, replica: 8 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -47.768664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.768664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.768664 (E_RNA) where: Base-Base interactions energy: -17.527 where: short stacking energy: -9.878 Base-Backbone interact. energy: -0.108 local terms energy: -30.133034 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -4.638 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: 46 Temperature: 1.350000 Total energy: -39.821391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.821391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.821391 (E_RNA) where: Base-Base interactions energy: -14.439 where: short stacking energy: -4.862 Base-Backbone interact. energy: -0.157 local terms energy: -25.225224 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: 0.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -65.469592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.469592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.469592 (E_RNA) where: Base-Base interactions energy: -28.240 where: short stacking energy: -28.240 Base-Backbone interact. energy: -0.004 local terms energy: -37.225581 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -9.176 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -60.612969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.612969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.612969 (E_RNA) where: Base-Base interactions energy: -29.220 where: short stacking energy: -26.380 Base-Backbone interact. energy: -0.383 local terms energy: -31.009743 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.932 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: 3, replica: 4 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -61.311297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.311297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.311297 (E_RNA) where: Base-Base interactions energy: -23.680 where: short stacking energy: -24.880 Base-Backbone interact. energy: -0.008 local terms energy: -37.623054 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -7.007 tors. eta vs tors. theta energy: -6.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -60.897334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.897334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.897334 (E_RNA) where: Base-Base interactions energy: -28.093 where: short stacking energy: -23.212 Base-Backbone interact. energy: -0.003 local terms energy: -32.800707 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -58.009760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.009760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.009760 (E_RNA) where: Base-Base interactions energy: -22.578 where: short stacking energy: -21.392 Base-Backbone interact. energy: -0.034 local terms energy: -35.396899 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -5.074 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: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -43.879753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.879753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.879753 (E_RNA) where: Base-Base interactions energy: -15.581 where: short stacking energy: -15.581 Base-Backbone interact. energy: -0.027 local terms energy: -28.271588 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -3.236 tors. eta vs tors. theta energy: -2.181 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: 3 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -60.576916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.576916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.576916 (E_RNA) where: Base-Base interactions energy: -32.210 where: short stacking energy: -25.792 Base-Backbone interact. energy: -0.873 local terms energy: -27.494000 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -3.343 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -5.499 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: 8, replica: 8 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -48.250599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.250599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.250599 (E_RNA) where: Base-Base interactions energy: -15.766 where: short stacking energy: -15.766 Base-Backbone interact. energy: -0.020 local terms energy: -32.464279 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -3.352 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: 9, replica: 9 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -44.260058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.260058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.260058 (E_RNA) where: Base-Base interactions energy: -13.432 where: short stacking energy: -13.432 Base-Backbone interact. energy: -0.000 local terms energy: -30.827936 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -5.013 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: 10 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -43.190183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.190183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.190183 (E_RNA) where: Base-Base interactions energy: -13.279 where: short stacking energy: -13.279 Base-Backbone interact. energy: -0.017 local terms energy: -29.893823 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -5.746 tors. eta vs tors. theta energy: -1.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -75.971835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.971835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.971835 (E_RNA) where: Base-Base interactions energy: -41.558 where: short stacking energy: -29.070 Base-Backbone interact. energy: 0.104 local terms energy: -34.518294 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.193 flat angles P-C4'-P energy: -4.667 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -62.181765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.181765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.181765 (E_RNA) where: Base-Base interactions energy: -27.428 where: short stacking energy: -27.428 Base-Backbone interact. energy: -0.000 local terms energy: -34.753365 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -3.855 tors. eta vs tors. theta energy: -8.244 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: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -56.469079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.469079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.469079 (E_RNA) where: Base-Base interactions energy: -19.919 where: short stacking energy: -19.919 Base-Backbone interact. energy: -0.008 local terms energy: -36.541804 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -4.945 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: 4, replica: 4 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -59.182022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.182022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.182022 (E_RNA) where: Base-Base interactions energy: -29.425 where: short stacking energy: -28.507 Base-Backbone interact. energy: -0.002 local terms energy: -29.754912 where: bonds (distance) C4'-P energy: -2.567 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.182 flat angles P-C4'-P energy: -5.927 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: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -56.188930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.188930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.188930 (E_RNA) where: Base-Base interactions energy: -23.976 where: short stacking energy: -23.976 Base-Backbone interact. energy: -0.007 local terms energy: -32.206297 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.826 flat angles P-C4'-P energy: -4.718 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -54.399163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.399163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.399163 (E_RNA) where: Base-Base interactions energy: -22.429 where: short stacking energy: -22.429 Base-Backbone interact. energy: -0.073 local terms energy: -31.897536 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -5.420 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: 7, replica: 8 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -42.174976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.174976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.174976 (E_RNA) where: Base-Base interactions energy: -19.172 where: short stacking energy: -19.172 Base-Backbone interact. energy: -0.065 local terms energy: -22.938083 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -3.271 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -49.792659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.792659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.792659 (E_RNA) where: Base-Base interactions energy: -21.476 where: short stacking energy: -21.476 Base-Backbone interact. energy: -0.004 local terms energy: -28.311854 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.933 flat angles P-C4'-P energy: -0.483 tors. eta vs tors. theta energy: -3.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -48.130950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.130950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.130950 (E_RNA) where: Base-Base interactions energy: -18.771 where: short stacking energy: -18.771 Base-Backbone interact. energy: -0.010 local terms energy: -29.350419 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -6.132 flat angles C4'-P-C4' energy: -7.422 flat angles P-C4'-P energy: -4.014 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: 10, replica: 9 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -39.217108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.217108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.217108 (E_RNA) where: Base-Base interactions energy: -11.633 where: short stacking energy: -11.633 Base-Backbone interact. energy: -0.097 local terms energy: -27.487301 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.414 flat angles P-C4'-P energy: -2.527 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: 1, replica: 7 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -74.526783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.526783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.526783 (E_RNA) where: Base-Base interactions energy: -36.866 where: short stacking energy: -24.141 Base-Backbone interact. energy: -0.000 local terms energy: -37.660459 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -60.577190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.577190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.577190 (E_RNA) where: Base-Base interactions energy: -28.966 where: short stacking energy: -17.055 Base-Backbone interact. energy: -0.010 local terms energy: -31.600995 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -7.080 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -3.622 tors. eta vs tors. theta energy: -4.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -55.615299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.615299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.615299 (E_RNA) where: Base-Base interactions energy: -20.653 where: short stacking energy: -20.653 Base-Backbone interact. energy: -0.012 local terms energy: -34.950429 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.673 flat angles P-C4'-P energy: -5.692 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -53.637908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.637908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.637908 (E_RNA) where: Base-Base interactions energy: -23.303 where: short stacking energy: -17.915 Base-Backbone interact. energy: 0.146 local terms energy: -30.480963 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -4.408 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: 5, replica: 4 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -56.011535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.011535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.011535 (E_RNA) where: Base-Base interactions energy: -18.968 where: short stacking energy: -18.968 Base-Backbone interact. energy: -0.072 local terms energy: -36.971476 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -8.158 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -51.178381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.178381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.178381 (E_RNA) where: Base-Base interactions energy: -19.145 where: short stacking energy: -19.145 Base-Backbone interact. energy: -0.000 local terms energy: -32.033327 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -4.918 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -3.428 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: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -47.001232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.001232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.001232 (E_RNA) where: Base-Base interactions energy: -13.914 where: short stacking energy: -13.914 Base-Backbone interact. energy: -0.094 local terms energy: -32.993188 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -6.427 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: 8, replica: 10 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -44.228029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.228029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.228029 (E_RNA) where: Base-Base interactions energy: -13.283 where: short stacking energy: -13.283 Base-Backbone interact. energy: -0.004 local terms energy: -30.941153 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -2.448 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -6.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -40.564244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.564244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.564244 (E_RNA) where: Base-Base interactions energy: -12.814 where: short stacking energy: -12.814 Base-Backbone interact. energy: -0.031 local terms energy: -27.718705 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: -1.585 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: 9 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -36.533995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.533995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.533995 (E_RNA) where: Base-Base interactions energy: -9.751 where: short stacking energy: -9.751 Base-Backbone interact. energy: -0.063 local terms energy: -26.719964 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -3.189 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: 7 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -74.371721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.371721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.371721 (E_RNA) where: Base-Base interactions energy: -41.022 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.001 local terms energy: -33.349062 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -7.535 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: 2, replica: 2 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -69.811700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.811700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.811700 (E_RNA) where: Base-Base interactions energy: -33.257 where: short stacking energy: -31.743 Base-Backbone interact. energy: -0.003 local terms energy: -36.551059 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -61.719983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.719983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.719983 (E_RNA) where: Base-Base interactions energy: -26.191 where: short stacking energy: -26.191 Base-Backbone interact. energy: -0.000 local terms energy: -35.529077 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -8.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -53.383156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.383156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.383156 (E_RNA) where: Base-Base interactions energy: -21.234 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.001 local terms energy: -32.148459 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.224 flat angles P-C4'-P energy: -6.122 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: 5, replica: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -53.460886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.460886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.460886 (E_RNA) where: Base-Base interactions energy: -20.443 where: short stacking energy: -20.443 Base-Backbone interact. energy: -0.061 local terms energy: -32.957405 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -46.536810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.536810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.536810 (E_RNA) where: Base-Base interactions energy: -15.616 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.195 local terms energy: -30.726560 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.089 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -51.085898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.085898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.085898 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -9.872 Base-Backbone interact. energy: -0.136 local terms energy: -28.959766 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -46.324942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.324942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.324942 (E_RNA) where: Base-Base interactions energy: -18.211 where: short stacking energy: -13.728 Base-Backbone interact. energy: -0.144 local terms energy: -27.970063 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -4.030 tors. eta vs tors. theta energy: -3.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -41.794150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.794150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.794150 (E_RNA) where: Base-Base interactions energy: -12.210 where: short stacking energy: -12.210 Base-Backbone interact. energy: -0.027 local terms energy: -29.556589 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -5.152 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -49.505978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.505978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.505978 (E_RNA) where: Base-Base interactions energy: -19.640 where: short stacking energy: -17.165 Base-Backbone interact. energy: -0.018 local terms energy: -29.848189 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.550 flat angles P-C4'-P energy: -5.152 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: 1, replica: 7 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -71.993173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.993173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.993173 (E_RNA) where: Base-Base interactions energy: -33.494 where: short stacking energy: -26.558 Base-Backbone interact. energy: -0.704 local terms energy: -37.794855 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.705 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -7.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -53.633660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.633660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.633660 (E_RNA) where: Base-Base interactions energy: -21.549 where: short stacking energy: -17.497 Base-Backbone interact. energy: -0.071 local terms energy: -32.013850 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -4.636 tors. eta vs tors. theta energy: -4.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -54.417773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.417773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.417773 (E_RNA) where: Base-Base interactions energy: -21.778 where: short stacking energy: -18.233 Base-Backbone interact. energy: -0.000 local terms energy: -32.638973 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -5.633 flat angles P-C4'-P energy: -5.020 tors. eta vs tors. theta energy: -4.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -68.690393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.690393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.690393 (E_RNA) where: Base-Base interactions energy: -31.305 where: short stacking energy: -31.305 Base-Backbone interact. energy: -0.000 local terms energy: -37.385315 where: bonds (distance) C4'-P energy: -5.732 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -5.822 tors. eta vs tors. theta energy: -11.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -53.750386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.750386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.750386 (E_RNA) where: Base-Base interactions energy: -21.709 where: short stacking energy: -13.094 Base-Backbone interact. energy: -0.000 local terms energy: -32.041792 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -4.482 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: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -47.283818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.283818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.283818 (E_RNA) where: Base-Base interactions energy: -17.002 where: short stacking energy: -17.002 Base-Backbone interact. energy: -0.066 local terms energy: -30.215676 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -3.013 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -5.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -46.276536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.276536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.276536 (E_RNA) where: Base-Base interactions energy: -18.574 where: short stacking energy: -18.574 Base-Backbone interact. energy: -0.022 local terms energy: -27.680338 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -1.224 tors. eta vs tors. theta energy: -3.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -50.114855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.114855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.114855 (E_RNA) where: Base-Base interactions energy: -23.821 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.012 local terms energy: -26.282029 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -5.041 flat angles C4'-P-C4' energy: -4.670 flat angles P-C4'-P energy: -1.337 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -41.088363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.088363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.088363 (E_RNA) where: Base-Base interactions energy: -16.153 where: short stacking energy: -16.153 Base-Backbone interact. energy: 0.525 local terms energy: -25.460164 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -8.699 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: 0.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -45.770784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.770784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.770784 (E_RNA) where: Base-Base interactions energy: -21.324 where: short stacking energy: -21.324 Base-Backbone interact. energy: -0.000 local terms energy: -24.447032 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: 0.048 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: 52 Temperature: 0.900000 Total energy: -73.487085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.487085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.487085 (E_RNA) where: Base-Base interactions energy: -40.235 where: short stacking energy: -32.104 Base-Backbone interact. energy: -0.000 local terms energy: -33.251868 where: bonds (distance) C4'-P energy: -6.909 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -4.339 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: 2, replica: 7 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -60.313966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.313966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.313966 (E_RNA) where: Base-Base interactions energy: -23.656 where: short stacking energy: -23.656 Base-Backbone interact. energy: -0.046 local terms energy: -36.612085 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -8.608 flat angles P-C4'-P energy: -5.635 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: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -55.009937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.009937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.009937 (E_RNA) where: Base-Base interactions energy: -24.400 where: short stacking energy: -24.400 Base-Backbone interact. energy: -0.001 local terms energy: -30.609642 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -3.237 tors. eta vs tors. theta energy: -5.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -54.001824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.001824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.001824 (E_RNA) where: Base-Base interactions energy: -20.720 where: short stacking energy: -18.419 Base-Backbone interact. energy: -0.017 local terms energy: -33.264574 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.785 flat angles P-C4'-P energy: -4.581 tors. eta vs tors. theta energy: -6.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -58.508790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.508790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.508790 (E_RNA) where: Base-Base interactions energy: -23.962 where: short stacking energy: -17.885 Base-Backbone interact. energy: -0.029 local terms energy: -34.517811 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -4.702 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -49.080037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.080037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.080037 (E_RNA) where: Base-Base interactions energy: -16.630 where: short stacking energy: -16.630 Base-Backbone interact. energy: -0.017 local terms energy: -32.432983 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.680 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -50.213790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.213790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.213790 (E_RNA) where: Base-Base interactions energy: -25.832 where: short stacking energy: -15.857 Base-Backbone interact. energy: -0.024 local terms energy: -24.358383 where: bonds (distance) C4'-P energy: -5.974 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -5.541 tors. eta vs tors. theta energy: 1.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -48.124950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.124950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.124950 (E_RNA) where: Base-Base interactions energy: -21.160 where: short stacking energy: -20.070 Base-Backbone interact. energy: -0.000 local terms energy: -26.965256 where: bonds (distance) C4'-P energy: -5.508 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -2.730 tors. eta vs tors. theta energy: -3.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -41.719921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.719921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.719921 (E_RNA) where: Base-Base interactions energy: -13.476 where: short stacking energy: -13.476 Base-Backbone interact. energy: -0.001 local terms energy: -28.242921 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -3.962 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -44.462619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.462619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.462619 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.028 local terms energy: -24.308767 where: bonds (distance) C4'-P energy: -4.657 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.788 tors. eta vs tors. theta energy: -5.315 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: 1, replica: 2 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -69.375314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.375314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.375314 (E_RNA) where: Base-Base interactions energy: -33.008 where: short stacking energy: -27.983 Base-Backbone interact. energy: -0.000 local terms energy: -36.366930 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -64.350438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.350438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.350438 (E_RNA) where: Base-Base interactions energy: -27.584 where: short stacking energy: -23.324 Base-Backbone interact. energy: -0.000 local terms energy: -36.765812 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -4.898 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -66.516431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.516431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.516431 (E_RNA) where: Base-Base interactions energy: -23.932 where: short stacking energy: -23.932 Base-Backbone interact. energy: -0.000 local terms energy: -42.584092 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -5.777 tors. eta vs tors. theta energy: -10.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -72.294374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.294374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.294374 (E_RNA) where: Base-Base interactions energy: -44.332 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.017 local terms energy: -27.944884 where: bonds (distance) C4'-P energy: -3.829 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -5.733 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: 5, replica: 6 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -63.981654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.981654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.981654 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -26.799 Base-Backbone interact. energy: -0.000 local terms energy: -37.182280 where: bonds (distance) C4'-P energy: -5.770 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -4.676 tors. eta vs tors. theta energy: -8.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -49.682100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.682100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.682100 (E_RNA) where: Base-Base interactions energy: -18.411 where: short stacking energy: -18.255 Base-Backbone interact. energy: -0.073 local terms energy: -31.197967 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.993 flat angles P-C4'-P energy: -6.448 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: 7, replica: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -47.884910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.884910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.884910 (E_RNA) where: Base-Base interactions energy: -19.898 where: short stacking energy: -19.333 Base-Backbone interact. energy: -0.055 local terms energy: -27.931714 where: bonds (distance) C4'-P energy: -4.421 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.691 flat angles P-C4'-P energy: -4.402 tors. eta vs tors. theta energy: -2.753 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: 4 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -49.713863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.713863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.713863 (E_RNA) where: Base-Base interactions energy: -18.303 where: short stacking energy: -17.401 Base-Backbone interact. energy: -0.095 local terms energy: -31.316100 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -3.515 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: 9, replica: 3 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -41.120369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.120369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.120369 (E_RNA) where: Base-Base interactions energy: -10.523 where: short stacking energy: -10.523 Base-Backbone interact. energy: -0.002 local terms energy: -30.595058 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -4.684 flat angles P-C4'-P energy: -3.951 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -44.842347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.842347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.842347 (E_RNA) where: Base-Base interactions energy: -17.965 where: short stacking energy: -17.965 Base-Backbone interact. energy: -0.001 local terms energy: -26.876165 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.851 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -2.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -60.007717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.007717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.007717 (E_RNA) where: Base-Base interactions energy: -23.945 where: short stacking energy: -23.945 Base-Backbone interact. energy: -0.093 local terms energy: -35.970329 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -62.278107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.278107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.278107 (E_RNA) where: Base-Base interactions energy: -25.221 where: short stacking energy: -25.221 Base-Backbone interact. energy: -0.033 local terms energy: -37.024014 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -6.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -52.657200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.657200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.657200 (E_RNA) where: Base-Base interactions energy: -19.296 where: short stacking energy: -19.296 Base-Backbone interact. energy: -0.023 local terms energy: -33.337546 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -6.397 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -58.267935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.267935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.267935 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -22.933 Base-Backbone interact. energy: -0.020 local terms energy: -35.314711 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -6.057 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: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -53.960075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.960075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.960075 (E_RNA) where: Base-Base interactions energy: -25.236 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.005 local terms energy: -28.719048 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -4.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -47.170827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.170827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.170827 (E_RNA) where: Base-Base interactions energy: -17.178 where: short stacking energy: -17.178 Base-Backbone interact. energy: -0.173 local terms energy: -29.819648 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -5.089 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: 7, replica: 4 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -53.664482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.664482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.664482 (E_RNA) where: Base-Base interactions energy: -21.023 where: short stacking energy: -21.023 Base-Backbone interact. energy: -0.002 local terms energy: -32.639367 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -3.626 tors. eta vs tors. theta energy: -4.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -51.868159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.868159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.868159 (E_RNA) where: Base-Base interactions energy: -20.477 where: short stacking energy: -18.789 Base-Backbone interact. energy: 0.082 local terms energy: -31.473386 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -50.208287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.208287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.208287 (E_RNA) where: Base-Base interactions energy: -18.377 where: short stacking energy: -18.344 Base-Backbone interact. energy: -0.003 local terms energy: -31.828295 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.301 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -4.468 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: 9 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -41.826903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.826903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.826903 (E_RNA) where: Base-Base interactions energy: -12.546 where: short stacking energy: -12.546 Base-Backbone interact. energy: -0.000 local terms energy: -29.280765 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -6.162 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -3.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -65.410348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.410348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.410348 (E_RNA) where: Base-Base interactions energy: -33.023 where: short stacking energy: -22.434 Base-Backbone interact. energy: -0.220 local terms energy: -32.167717 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -4.405 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: 2, replica: 10 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -69.237133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.237133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.237133 (E_RNA) where: Base-Base interactions energy: -33.681 where: short stacking energy: -28.293 Base-Backbone interact. energy: -0.000 local terms energy: -35.555588 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -5.830 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: 3, replica: 2 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -59.079550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.079550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.079550 (E_RNA) where: Base-Base interactions energy: -21.633 where: short stacking energy: -21.633 Base-Backbone interact. energy: -0.000 local terms energy: -37.446541 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -7.220 tors. eta vs tors. theta energy: -6.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -50.063583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.063583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.063583 (E_RNA) where: Base-Base interactions energy: -17.525 where: short stacking energy: -17.192 Base-Backbone interact. energy: 0.070 local terms energy: -32.608369 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.925 flat angles C4'-P-C4' energy: -9.502 flat angles P-C4'-P energy: -5.724 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: 5, replica: 7 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -58.556946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.556946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.556946 (E_RNA) where: Base-Base interactions energy: -23.098 where: short stacking energy: -23.098 Base-Backbone interact. energy: -0.000 local terms energy: -35.458637 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -8.438 flat angles P-C4'-P energy: -3.465 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: 6, replica: 4 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -47.375220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.375220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.375220 (E_RNA) where: Base-Base interactions energy: -19.317 where: short stacking energy: -19.317 Base-Backbone interact. energy: -0.284 local terms energy: -27.773550 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.791 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -2.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -51.614323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.614323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.614323 (E_RNA) where: Base-Base interactions energy: -19.299 where: short stacking energy: -19.299 Base-Backbone interact. energy: -0.001 local terms energy: -32.314078 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.623 flat angles P-C4'-P energy: -7.408 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: 8, replica: 3 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -42.156019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.156019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.156019 (E_RNA) where: Base-Base interactions energy: -14.161 where: short stacking energy: -14.161 Base-Backbone interact. energy: -0.004 local terms energy: -27.991195 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -47.664017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.664017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.664017 (E_RNA) where: Base-Base interactions energy: -18.815 where: short stacking energy: -17.487 Base-Backbone interact. energy: -1.099 local terms energy: -27.749388 where: bonds (distance) C4'-P energy: -5.031 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -3.501 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -37.801504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.801504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.801504 (E_RNA) where: Base-Base interactions energy: -11.969 where: short stacking energy: -11.969 Base-Backbone interact. energy: 0.477 local terms energy: -26.309103 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -5.612 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -5.101 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: 10 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -64.550870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.550870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.550870 (E_RNA) where: Base-Base interactions energy: -28.630 where: short stacking energy: -28.630 Base-Backbone interact. energy: -0.000 local terms energy: -35.921132 where: bonds (distance) C4'-P energy: -7.753 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.922 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: 2, replica: 1 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -55.522469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.522469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.522469 (E_RNA) where: Base-Base interactions energy: -21.169 where: short stacking energy: -21.169 Base-Backbone interact. energy: -0.001 local terms energy: -34.352847 where: bonds (distance) C4'-P energy: -5.946 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -4.931 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: 3, replica: 8 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -61.420191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.420191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.420191 (E_RNA) where: Base-Base interactions energy: -28.549 where: short stacking energy: -28.549 Base-Backbone interact. energy: -0.045 local terms energy: -32.825734 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -4.716 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -76.001671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.001671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.001671 (E_RNA) where: Base-Base interactions energy: -44.977 where: short stacking energy: -26.103 Base-Backbone interact. energy: -0.001 local terms energy: -31.023129 where: bonds (distance) C4'-P energy: -4.227 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -8.908 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -3.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -56.157074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.157074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.157074 (E_RNA) where: Base-Base interactions energy: -23.729 where: short stacking energy: -23.729 Base-Backbone interact. energy: -0.001 local terms energy: -32.427408 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -52.953258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.953258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.953258 (E_RNA) where: Base-Base interactions energy: -23.510 where: short stacking energy: -23.510 Base-Backbone interact. energy: -0.022 local terms energy: -29.421084 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -3.118 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: 7, replica: 3 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -51.669100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.669100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.669100 (E_RNA) where: Base-Base interactions energy: -18.742 where: short stacking energy: -18.742 Base-Backbone interact. energy: -0.021 local terms energy: -32.906035 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -5.437 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: 8, replica: 6 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -42.938728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.938728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.938728 (E_RNA) where: Base-Base interactions energy: -13.034 where: short stacking energy: -13.034 Base-Backbone interact. energy: -0.029 local terms energy: -29.875513 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.970 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -4.052 tors. eta vs tors. theta energy: -3.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -41.280828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.280828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.280828 (E_RNA) where: Base-Base interactions energy: -11.487 where: short stacking energy: -11.487 Base-Backbone interact. energy: -0.085 local terms energy: -29.709329 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -2.835 flat angles P-C4'-P energy: -5.117 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -44.204099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.204099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.204099 (E_RNA) where: Base-Base interactions energy: -15.594 where: short stacking energy: -14.214 Base-Backbone interact. energy: -0.093 local terms energy: -28.516879 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -4.558 tors. eta vs tors. theta energy: -1.399 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: 10 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -81.879962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.879962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.879962 (E_RNA) where: Base-Base interactions energy: -47.052 where: short stacking energy: -30.355 Base-Backbone interact. energy: -0.001 local terms energy: -34.827578 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.863 flat angles P-C4'-P energy: -5.283 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: 1 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -77.100811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.100811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.100811 (E_RNA) where: Base-Base interactions energy: -45.836 where: short stacking energy: -26.352 Base-Backbone interact. energy: -0.001 local terms energy: -31.264414 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -5.524 flat angles P-C4'-P energy: -5.551 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: 3, replica: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -55.107610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.107610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.107610 (E_RNA) where: Base-Base interactions energy: -21.184 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.402 local terms energy: -33.522086 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.753 flat angles P-C4'-P energy: -4.888 tors. eta vs tors. theta energy: -5.272 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: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -59.055618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.055618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.055618 (E_RNA) where: Base-Base interactions energy: -27.555 where: short stacking energy: -18.807 Base-Backbone interact. energy: -0.686 local terms energy: -30.814563 where: bonds (distance) C4'-P energy: -7.659 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -5.002 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: 4 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -55.780617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.780617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.780617 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.338 Base-Backbone interact. energy: -0.000 local terms energy: -34.441929 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -7.081 flat angles P-C4'-P energy: -4.946 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: 6, replica: 3 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -47.838274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.838274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.838274 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -17.765 Base-Backbone interact. energy: -0.134 local terms energy: -29.939580 where: bonds (distance) C4'-P energy: -4.392 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -4.717 flat angles P-C4'-P energy: -6.396 tors. eta vs tors. theta energy: -4.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -47.429211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.429211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.429211 (E_RNA) where: Base-Base interactions energy: -16.179 where: short stacking energy: -16.179 Base-Backbone interact. energy: -0.001 local terms energy: -31.249572 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -4.387 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: 9 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -49.657741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.657741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.657741 (E_RNA) where: Base-Base interactions energy: -18.080 where: short stacking energy: -12.960 Base-Backbone interact. energy: -0.124 local terms energy: -31.453920 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.863 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -2.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -48.080139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.080139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.080139 (E_RNA) where: Base-Base interactions energy: -23.038 where: short stacking energy: -22.079 Base-Backbone interact. energy: -0.001 local terms energy: -25.041040 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -0.920 flat angles P-C4'-P energy: -4.811 tors. eta vs tors. theta energy: -5.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -37.486858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.486858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.486858 (E_RNA) where: Base-Base interactions energy: -10.497 where: short stacking energy: -10.497 Base-Backbone interact. energy: -0.739 local terms energy: -26.251698 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -4.868 flat angles C4'-P-C4' energy: -9.185 flat angles P-C4'-P energy: -4.876 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: 1, replica: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -83.814560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.814560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.814560 (E_RNA) where: Base-Base interactions energy: -46.871 where: short stacking energy: -28.946 Base-Backbone interact. energy: -0.000 local terms energy: -36.943320 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -72.859315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.859315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.859315 (E_RNA) where: Base-Base interactions energy: -38.461 where: short stacking energy: -34.163 Base-Backbone interact. energy: -0.001 local terms energy: -34.397696 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -5.784 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -6.242 tors. eta vs tors. theta energy: -7.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -56.913096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.913096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.913096 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -19.896 Base-Backbone interact. energy: -0.001 local terms energy: -32.889278 where: bonds (distance) C4'-P energy: -7.832 bonds (distance) P-C4' energy: -6.563 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -2.293 tors. eta vs tors. theta energy: -7.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -53.387923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.387923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.387923 (E_RNA) where: Base-Base interactions energy: -21.990 where: short stacking energy: -21.990 Base-Backbone interact. energy: -0.007 local terms energy: -31.390975 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -4.586 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -55.051950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.051950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.051950 (E_RNA) where: Base-Base interactions energy: -22.834 where: short stacking energy: -22.834 Base-Backbone interact. energy: -0.002 local terms energy: -32.216357 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -47.576164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.576164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.576164 (E_RNA) where: Base-Base interactions energy: -16.785 where: short stacking energy: -16.785 Base-Backbone interact. energy: -0.006 local terms energy: -30.785714 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -3.007 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: 7, replica: 9 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -47.141160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.141160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.141160 (E_RNA) where: Base-Base interactions energy: -19.408 where: short stacking energy: -19.408 Base-Backbone interact. energy: -0.006 local terms energy: -27.726919 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -8.520 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -4.993 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: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -46.529829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.529829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.529829 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: -0.100 local terms energy: -32.066309 where: bonds (distance) C4'-P energy: -4.314 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.932 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -3.911 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: 58 Temperature: 1.300000 Total energy: -43.872925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.872925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.872925 (E_RNA) where: Base-Base interactions energy: -16.542 where: short stacking energy: -16.542 Base-Backbone interact. energy: -0.066 local terms energy: -27.264594 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -7.611 flat angles P-C4'-P energy: -0.407 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: 10, replica: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -43.351928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.351928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.351928 (E_RNA) where: Base-Base interactions energy: -16.014 where: short stacking energy: -14.034 Base-Backbone interact. energy: -0.006 local terms energy: -27.331212 where: bonds (distance) C4'-P energy: -5.029 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.449 flat angles P-C4'-P energy: -4.832 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: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -61.574168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.574168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.574168 (E_RNA) where: Base-Base interactions energy: -26.179 where: short stacking energy: -25.754 Base-Backbone interact. energy: -0.143 local terms energy: -35.251873 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.588 flat angles P-C4'-P energy: -5.655 tors. eta vs tors. theta energy: -6.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -80.566925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.566925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.566925 (E_RNA) where: Base-Base interactions energy: -44.709 where: short stacking energy: -26.394 Base-Backbone interact. energy: -0.006 local terms energy: -35.852395 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -6.141 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: 3, replica: 2 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -60.127868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.127868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.127868 (E_RNA) where: Base-Base interactions energy: -30.532 where: short stacking energy: -21.728 Base-Backbone interact. energy: -0.095 local terms energy: -29.500474 where: bonds (distance) C4'-P energy: -7.605 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -4.224 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -4.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -54.250423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.250423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.250423 (E_RNA) where: Base-Base interactions energy: -22.433 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.019 local terms energy: -31.797980 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.859 flat angles P-C4'-P energy: -5.681 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: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -53.478935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.478935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.478935 (E_RNA) where: Base-Base interactions energy: -32.673 where: short stacking energy: -18.309 Base-Backbone interact. energy: -0.032 local terms energy: -20.773478 where: bonds (distance) C4'-P energy: -3.485 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.817 flat angles P-C4'-P energy: -4.815 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: 6, replica: 9 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -53.967175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.967175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.967175 (E_RNA) where: Base-Base interactions energy: -27.951 where: short stacking energy: -12.582 Base-Backbone interact. energy: -1.693 local terms energy: -24.323127 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -4.547 flat angles C4'-P-C4' energy: -5.334 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -45.572983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.572983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.572983 (E_RNA) where: Base-Base interactions energy: -14.225 where: short stacking energy: -14.225 Base-Backbone interact. energy: -0.210 local terms energy: -31.138638 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.683 flat angles P-C4'-P energy: -6.488 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: 5 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -43.622641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.622641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.622641 (E_RNA) where: Base-Base interactions energy: -14.129 where: short stacking energy: -14.129 Base-Backbone interact. energy: -0.000 local terms energy: -29.493606 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -3.785 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -5.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -42.750469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.750469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.750469 (E_RNA) where: Base-Base interactions energy: -15.899 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.039 local terms energy: -26.811976 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -4.985 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -0.644 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: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -41.734906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734906 (E_RNA) where: Base-Base interactions energy: -15.742 where: short stacking energy: -12.829 Base-Backbone interact. energy: 0.133 local terms energy: -26.126014 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.644 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -4.786 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: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -82.154810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.154810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.154810 (E_RNA) where: Base-Base interactions energy: -48.229 where: short stacking energy: -30.134 Base-Backbone interact. energy: -0.062 local terms energy: -33.864163 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -83.708872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708872 (E_RNA) where: Base-Base interactions energy: -48.099 where: short stacking energy: -32.982 Base-Backbone interact. energy: 0.391 local terms energy: -36.000564 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.011 flat angles P-C4'-P energy: -4.814 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: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -50.766444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.766444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.766444 (E_RNA) where: Base-Base interactions energy: -18.491 where: short stacking energy: -18.491 Base-Backbone interact. energy: -0.060 local terms energy: -32.215454 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -5.258 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: 4, replica: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -58.703416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.703416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.703416 (E_RNA) where: Base-Base interactions energy: -29.638 where: short stacking energy: -17.328 Base-Backbone interact. energy: -0.011 local terms energy: -29.053749 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -5.739 flat angles P-C4'-P energy: -5.129 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: 5, replica: 9 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -52.810282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.810282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.810282 (E_RNA) where: Base-Base interactions energy: -18.862 where: short stacking energy: -18.862 Base-Backbone interact. energy: -0.452 local terms energy: -33.496322 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -5.788 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: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -49.148121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.148121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.148121 (E_RNA) where: Base-Base interactions energy: -20.183 where: short stacking energy: -20.183 Base-Backbone interact. energy: -0.047 local terms energy: -28.918305 where: bonds (distance) C4'-P energy: -5.606 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -2.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -49.041737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.041737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.041737 (E_RNA) where: Base-Base interactions energy: -17.647 where: short stacking energy: -15.751 Base-Backbone interact. energy: -0.019 local terms energy: -31.375907 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.326 flat angles P-C4'-P energy: -3.664 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: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -39.383958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.383958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.383958 (E_RNA) where: Base-Base interactions energy: -13.010 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.093 local terms energy: -26.280484 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.243 flat angles P-C4'-P energy: -3.762 tors. eta vs tors. theta energy: -0.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -44.670224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.670224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.670224 (E_RNA) where: Base-Base interactions energy: -17.641 where: short stacking energy: -17.641 Base-Backbone interact. energy: -0.077 local terms energy: -26.952247 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -4.771 tors. eta vs tors. theta energy: -1.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -44.293315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.293315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.293315 (E_RNA) where: Base-Base interactions energy: -15.667 where: short stacking energy: -14.789 Base-Backbone interact. energy: -0.000 local terms energy: -28.625667 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -5.929 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -3.762 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: 1, replica: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -83.210675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.210675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.210675 (E_RNA) where: Base-Base interactions energy: -45.003 where: short stacking energy: -28.490 Base-Backbone interact. energy: -0.038 local terms energy: -38.169758 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.933 flat angles P-C4'-P energy: -5.960 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: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -59.652282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.652282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.652282 (E_RNA) where: Base-Base interactions energy: -22.886 where: short stacking energy: -20.740 Base-Backbone interact. energy: -0.001 local terms energy: -36.765600 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.465 flat angles P-C4'-P energy: -4.571 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: 10 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -60.664455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.664455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.664455 (E_RNA) where: Base-Base interactions energy: -30.014 where: short stacking energy: -17.875 Base-Backbone interact. energy: 1.457 local terms energy: -32.107051 where: bonds (distance) C4'-P energy: -7.066 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -6.773 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: 4, replica: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -63.512377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.512377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.512377 (E_RNA) where: Base-Base interactions energy: -23.444 where: short stacking energy: -23.444 Base-Backbone interact. energy: -0.002 local terms energy: -40.065544 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -9.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -62.268418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.268418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.268418 (E_RNA) where: Base-Base interactions energy: -33.323 where: short stacking energy: -19.197 Base-Backbone interact. energy: -0.091 local terms energy: -28.854144 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -2.915 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -7.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -70.317697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.317697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.317697 (E_RNA) where: Base-Base interactions energy: -29.734 where: short stacking energy: -29.734 Base-Backbone interact. energy: -0.000 local terms energy: -40.583383 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -11.012 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -42.900588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.900588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.900588 (E_RNA) where: Base-Base interactions energy: -12.172 where: short stacking energy: -10.034 Base-Backbone interact. energy: -0.003 local terms energy: -30.725841 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.571 flat angles P-C4'-P energy: -4.429 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: 8, replica: 6 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -40.867284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.867284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.867284 (E_RNA) where: Base-Base interactions energy: -14.305 where: short stacking energy: -13.389 Base-Backbone interact. energy: -0.004 local terms energy: -26.558055 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -3.739 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: 9, replica: 4 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -52.009387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.009387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.009387 (E_RNA) where: Base-Base interactions energy: -21.349 where: short stacking energy: -21.349 Base-Backbone interact. energy: -0.086 local terms energy: -30.575131 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -3.899 flat angles C4'-P-C4' energy: -6.536 flat angles P-C4'-P energy: -5.042 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: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -39.266731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.266731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.266731 (E_RNA) where: Base-Base interactions energy: -12.464 where: short stacking energy: -12.464 Base-Backbone interact. energy: -0.029 local terms energy: -26.773543 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -5.818 flat angles C4'-P-C4' energy: -5.849 flat angles P-C4'-P energy: -4.272 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: 1, replica: 3 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -76.033843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.033843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.033843 (E_RNA) where: Base-Base interactions energy: -34.533 where: short stacking energy: -34.533 Base-Backbone interact. energy: -0.000 local terms energy: -41.501037 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -9.571 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: 1 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -71.581859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.581859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.581859 (E_RNA) where: Base-Base interactions energy: -36.317 where: short stacking energy: -30.118 Base-Backbone interact. energy: -0.000 local terms energy: -35.264829 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -9.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -62.118313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.118313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.118313 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -25.967 Base-Backbone interact. energy: -0.004 local terms energy: -36.147312 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -5.531 flat angles P-C4'-P energy: -6.622 tors. eta vs tors. theta energy: -9.528 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: 4, replica: 10 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -54.063576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.063576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.063576 (E_RNA) where: Base-Base interactions energy: -23.655 where: short stacking energy: -18.973 Base-Backbone interact. energy: -0.026 local terms energy: -30.382360 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -4.647 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: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -56.853617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.853617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.853617 (E_RNA) where: Base-Base interactions energy: -21.857 where: short stacking energy: -21.857 Base-Backbone interact. energy: -0.000 local terms energy: -34.996825 where: bonds (distance) C4'-P energy: -5.819 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -5.601 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: 6, replica: 9 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -57.562093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.562093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.562093 (E_RNA) where: Base-Base interactions energy: -25.458 where: short stacking energy: -25.458 Base-Backbone interact. energy: -0.002 local terms energy: -32.102192 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -2.082 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: 7, replica: 6 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -49.655538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.655538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.655538 (E_RNA) where: Base-Base interactions energy: -19.536 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.112 local terms energy: -30.007774 where: bonds (distance) C4'-P energy: -5.189 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.333 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -44.781287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.781287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.781287 (E_RNA) where: Base-Base interactions energy: -15.499 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.222 local terms energy: -29.059649 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.494 flat angles C4'-P-C4' energy: -6.911 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -1.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -44.412425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.412425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.412425 (E_RNA) where: Base-Base interactions energy: -16.150 where: short stacking energy: -11.184 Base-Backbone interact. energy: -0.176 local terms energy: -28.085844 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -8.000 flat angles P-C4'-P energy: -5.589 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -45.434083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.434083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.434083 (E_RNA) where: Base-Base interactions energy: -16.802 where: short stacking energy: -16.802 Base-Backbone interact. energy: -0.000 local terms energy: -28.631836 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -4.684 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: 3 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -54.501822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.501822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.501822 (E_RNA) where: Base-Base interactions energy: -22.163 where: short stacking energy: -22.163 Base-Backbone interact. energy: -0.021 local terms energy: -32.317514 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -9.076 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -55.690963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.690963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.690963 (E_RNA) where: Base-Base interactions energy: -21.951 where: short stacking energy: -21.951 Base-Backbone interact. energy: -0.001 local terms energy: -33.738817 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -3.624 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -55.685195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.685195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.685195 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -22.824 Base-Backbone interact. energy: -0.101 local terms energy: -32.759966 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -4.664 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: 4, replica: 5 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -57.503665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.503665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.503665 (E_RNA) where: Base-Base interactions energy: -22.761 where: short stacking energy: -22.761 Base-Backbone interact. energy: -0.008 local terms energy: -34.734660 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -3.722 tors. eta vs tors. theta energy: -7.578 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: 10 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -54.568521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.568521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.568521 (E_RNA) where: Base-Base interactions energy: -22.173 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.034 local terms energy: -32.361904 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.512 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -3.519 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: 6, replica: 6 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -46.601733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.601733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.601733 (E_RNA) where: Base-Base interactions energy: -12.406 where: short stacking energy: -12.406 Base-Backbone interact. energy: -0.000 local terms energy: -34.195773 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -4.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -46.351331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351331 (E_RNA) where: Base-Base interactions energy: -24.967 where: short stacking energy: -11.793 Base-Backbone interact. energy: -0.125 local terms energy: -21.258888 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -6.615 flat angles P-C4'-P energy: -4.607 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: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -46.545071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.545071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.545071 (E_RNA) where: Base-Base interactions energy: -17.749 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.001 local terms energy: -28.794373 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -1.455 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: 63 Temperature: 1.300000 Total energy: -42.502751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.502751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.502751 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -9.243 Base-Backbone interact. energy: -0.105 local terms energy: -29.050928 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.175 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -1.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -44.956043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.956043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.956043 (E_RNA) where: Base-Base interactions energy: -17.010 where: short stacking energy: -17.010 Base-Backbone interact. energy: -0.000 local terms energy: -27.946009 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.448 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: 2 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -66.201827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.201827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.201827 (E_RNA) where: Base-Base interactions energy: -28.018 where: short stacking energy: -28.018 Base-Backbone interact. energy: -0.000 local terms energy: -38.183942 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.300 flat angles P-C4'-P energy: -5.213 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: 2, replica: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -66.129833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.129833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.129833 (E_RNA) where: Base-Base interactions energy: -35.017 where: short stacking energy: -27.215 Base-Backbone interact. energy: -0.158 local terms energy: -30.955725 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.067 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -60.515838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.515838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.515838 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -26.578 Base-Backbone interact. energy: -0.001 local terms energy: -33.937267 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.981 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -4.208 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: 4, replica: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -64.967480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.967480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.967480 (E_RNA) where: Base-Base interactions energy: -29.806 where: short stacking energy: -29.806 Base-Backbone interact. energy: -0.000 local terms energy: -35.161495 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -3.410 flat angles C4'-P-C4' energy: -8.654 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -8.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -47.671915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.671915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.671915 (E_RNA) where: Base-Base interactions energy: -22.460 where: short stacking energy: -9.546 Base-Backbone interact. energy: 0.032 local terms energy: -25.244370 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -5.070 tors. eta vs tors. theta energy: 0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -44.456999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.456999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.456999 (E_RNA) where: Base-Base interactions energy: -16.398 where: short stacking energy: -16.398 Base-Backbone interact. energy: 0.014 local terms energy: -28.072549 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -3.967 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -2.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -47.443695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.443695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.443695 (E_RNA) where: Base-Base interactions energy: -18.137 where: short stacking energy: -18.137 Base-Backbone interact. energy: -0.095 local terms energy: -29.212062 where: bonds (distance) C4'-P energy: -6.935 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.079 flat angles P-C4'-P energy: -0.328 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -49.616828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.616828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.616828 (E_RNA) where: Base-Base interactions energy: -14.542 where: short stacking energy: -14.542 Base-Backbone interact. energy: -0.000 local terms energy: -35.074887 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -6.053 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: 9, replica: 4 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -46.873339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.873339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.873339 (E_RNA) where: Base-Base interactions energy: -15.743 where: short stacking energy: -15.403 Base-Backbone interact. energy: -0.020 local terms energy: -31.109938 where: bonds (distance) C4'-P energy: -5.134 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -5.003 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: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -47.155960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.155960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.155960 (E_RNA) where: Base-Base interactions energy: -25.011 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.103 local terms energy: -22.041861 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -5.344 flat angles P-C4'-P energy: -2.366 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -59.508702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.508702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.508702 (E_RNA) where: Base-Base interactions energy: -24.469 where: short stacking energy: -24.469 Base-Backbone interact. energy: -0.000 local terms energy: -35.039855 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -3.213 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: 2, replica: 5 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -60.982113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.982113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.982113 (E_RNA) where: Base-Base interactions energy: -27.029 where: short stacking energy: -27.029 Base-Backbone interact. energy: -0.014 local terms energy: -33.939486 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.116 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: 3, replica: 3 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -61.922906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.922906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.922906 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -23.578 Base-Backbone interact. energy: -0.000 local terms energy: -37.769481 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.298 tors. eta vs tors. theta energy: -7.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -58.463432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.463432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.463432 (E_RNA) where: Base-Base interactions energy: -26.705 where: short stacking energy: -26.705 Base-Backbone interact. energy: -0.000 local terms energy: -31.758678 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -4.484 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: 5, replica: 6 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -57.998808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.998808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.998808 (E_RNA) where: Base-Base interactions energy: -26.965 where: short stacking energy: -13.616 Base-Backbone interact. energy: -0.002 local terms energy: -31.031856 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -3.546 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -47.919920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.919920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.919920 (E_RNA) where: Base-Base interactions energy: -18.046 where: short stacking energy: -18.046 Base-Backbone interact. energy: -0.020 local terms energy: -29.853698 where: bonds (distance) C4'-P energy: -6.546 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -3.013 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -51.274761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.274761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.274761 (E_RNA) where: Base-Base interactions energy: -22.117 where: short stacking energy: -22.082 Base-Backbone interact. energy: -0.071 local terms energy: -29.086887 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -0.622 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: 65 Temperature: 1.250000 Total energy: -47.281312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.281312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.281312 (E_RNA) where: Base-Base interactions energy: -14.806 where: short stacking energy: -14.806 Base-Backbone interact. energy: 0.201 local terms energy: -32.676592 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.121 flat angles P-C4'-P energy: -3.948 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: 9, replica: 9 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -41.010550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.010550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.010550 (E_RNA) where: Base-Base interactions energy: -15.351 where: short stacking energy: -15.351 Base-Backbone interact. energy: -0.037 local terms energy: -25.621992 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.681 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: 0.788 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -39.900003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.900003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.900003 (E_RNA) where: Base-Base interactions energy: -17.167 where: short stacking energy: -14.590 Base-Backbone interact. energy: -0.037 local terms energy: -22.696453 where: bonds (distance) C4'-P energy: -4.820 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.626 flat angles P-C4'-P energy: -2.277 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: 1, replica: 5 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -70.439658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.439658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.439658 (E_RNA) where: Base-Base interactions energy: -33.619 where: short stacking energy: -22.415 Base-Backbone interact. energy: -0.003 local terms energy: -36.817227 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.195 flat angles P-C4'-P energy: -6.463 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: 2, replica: 2 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -60.090372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.090372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.090372 (E_RNA) where: Base-Base interactions energy: -25.846 where: short stacking energy: -25.846 Base-Backbone interact. energy: -0.000 local terms energy: -34.244556 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -6.167 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: 3, replica: 1 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -53.645831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.645831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.645831 (E_RNA) where: Base-Base interactions energy: -19.990 where: short stacking energy: -17.797 Base-Backbone interact. energy: 0.144 local terms energy: -33.799247 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -6.369 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: 4, replica: 3 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -59.057476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.057476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.057476 (E_RNA) where: Base-Base interactions energy: -28.543 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.104 local terms energy: -30.410595 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.557 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -4.402 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: 10 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -52.630769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.630769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.630769 (E_RNA) where: Base-Base interactions energy: -25.793 where: short stacking energy: -21.907 Base-Backbone interact. energy: -0.088 local terms energy: -26.749646 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.235 flat angles P-C4'-P energy: -3.749 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -54.806802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.806802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.806802 (E_RNA) where: Base-Base interactions energy: -21.978 where: short stacking energy: -21.978 Base-Backbone interact. energy: -0.000 local terms energy: -32.828884 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -4.103 tors. eta vs tors. theta energy: -6.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -44.787916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.787916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.787916 (E_RNA) where: Base-Base interactions energy: -14.656 where: short stacking energy: -12.228 Base-Backbone interact. energy: -0.057 local terms energy: -30.075145 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -2.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -46.260676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.260676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.260676 (E_RNA) where: Base-Base interactions energy: -17.723 where: short stacking energy: -17.723 Base-Backbone interact. energy: -0.098 local terms energy: -28.440029 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -43.033423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.033423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.033423 (E_RNA) where: Base-Base interactions energy: -18.786 where: short stacking energy: -18.786 Base-Backbone interact. energy: -0.002 local terms energy: -24.244946 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -5.959 flat angles C4'-P-C4' energy: -6.010 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -41.712625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.712625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.712625 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.006 local terms energy: -24.085471 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.531 flat angles P-C4'-P energy: -2.258 tors. eta vs tors. theta energy: -3.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -74.823636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.823636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.823636 (E_RNA) where: Base-Base interactions energy: -42.021 where: short stacking energy: -24.583 Base-Backbone interact. energy: -0.000 local terms energy: -32.802146 where: bonds (distance) C4'-P energy: -7.869 bonds (distance) P-C4' energy: -5.625 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -7.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -76.719960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.719960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.719960 (E_RNA) where: Base-Base interactions energy: -42.917 where: short stacking energy: -24.359 Base-Backbone interact. energy: -0.002 local terms energy: -33.801152 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -5.824 tors. eta vs tors. theta energy: -4.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -70.640771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.640771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.640771 (E_RNA) where: Base-Base interactions energy: -38.756 where: short stacking energy: -19.598 Base-Backbone interact. energy: -0.400 local terms energy: -31.485244 where: bonds (distance) C4'-P energy: -5.005 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.657 flat angles P-C4'-P energy: -5.865 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: 4, replica: 10 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -56.130739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.130739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.130739 (E_RNA) where: Base-Base interactions energy: -21.895 where: short stacking energy: -21.870 Base-Backbone interact. energy: -0.000 local terms energy: -34.235308 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -9.080 flat angles P-C4'-P energy: -4.180 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -50.658404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.658404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.658404 (E_RNA) where: Base-Base interactions energy: -23.431 where: short stacking energy: -12.112 Base-Backbone interact. energy: -0.699 local terms energy: -26.528897 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -5.068 tors. eta vs tors. theta energy: 1.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -44.659857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.659857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.659857 (E_RNA) where: Base-Base interactions energy: -18.111 where: short stacking energy: -18.111 Base-Backbone interact. energy: -0.000 local terms energy: -26.549202 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -5.366 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: 7, replica: 6 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -51.834338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.834338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.834338 (E_RNA) where: Base-Base interactions energy: -26.650 where: short stacking energy: -7.404 Base-Backbone interact. energy: -0.738 local terms energy: -24.446633 where: bonds (distance) C4'-P energy: -5.664 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -3.179 tors. eta vs tors. theta energy: -0.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -50.987937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.987937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.987937 (E_RNA) where: Base-Base interactions energy: -26.212 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.015 local terms energy: -24.761006 where: bonds (distance) C4'-P energy: -5.384 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -4.938 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -3.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -40.378396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.378396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.378396 (E_RNA) where: Base-Base interactions energy: -11.240 where: short stacking energy: -11.240 Base-Backbone interact. energy: -0.079 local terms energy: -29.058710 where: bonds (distance) C4'-P energy: -6.467 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.768 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -45.253161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.253161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.253161 (E_RNA) where: Base-Base interactions energy: -17.969 where: short stacking energy: -17.969 Base-Backbone interact. energy: -0.006 local terms energy: -27.277544 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -3.148 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -6.893 tors. eta vs tors. theta energy: -3.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -65.003408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.003408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.003408 (E_RNA) where: Base-Base interactions energy: -28.677 where: short stacking energy: -28.677 Base-Backbone interact. energy: -0.033 local terms energy: -36.293208 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -6.970 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: 5 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -59.291590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.291590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.291590 (E_RNA) where: Base-Base interactions energy: -27.324 where: short stacking energy: -24.936 Base-Backbone interact. energy: -0.008 local terms energy: -31.959279 where: bonds (distance) C4'-P energy: -6.023 bonds (distance) P-C4' energy: -6.587 flat angles C4'-P-C4' energy: -9.350 flat angles P-C4'-P energy: -3.284 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: 3, replica: 10 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -66.328212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.328212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.328212 (E_RNA) where: Base-Base interactions energy: -32.293 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.215 local terms energy: -33.820691 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -6.070 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: 4, replica: 2 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -74.785277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.785277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.785277 (E_RNA) where: Base-Base interactions energy: -43.276 where: short stacking energy: -25.017 Base-Backbone interact. energy: -0.001 local terms energy: -31.508810 where: bonds (distance) C4'-P energy: -7.142 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -4.222 flat angles P-C4'-P energy: -5.084 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -52.260694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.260694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.260694 (E_RNA) where: Base-Base interactions energy: -24.869 where: short stacking energy: -15.735 Base-Backbone interact. energy: -0.011 local terms energy: -27.379988 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -3.187 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: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -52.585575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.585575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.585575 (E_RNA) where: Base-Base interactions energy: -21.686 where: short stacking energy: -13.301 Base-Backbone interact. energy: -0.002 local terms energy: -30.897817 where: bonds (distance) C4'-P energy: -5.411 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.981 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -2.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -54.384963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.384963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.384963 (E_RNA) where: Base-Base interactions energy: -25.361 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.019 local terms energy: -29.004883 where: bonds (distance) C4'-P energy: -2.762 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -3.421 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -44.411427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.411427 (E_RNA) where: Base-Base interactions energy: -18.563 where: short stacking energy: -18.563 Base-Backbone interact. energy: -0.000 local terms energy: -25.848340 where: bonds (distance) C4'-P energy: -4.198 bonds (distance) P-C4' energy: -5.901 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -3.570 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: 9, replica: 9 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -42.365848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.365848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.365848 (E_RNA) where: Base-Base interactions energy: -18.073 where: short stacking energy: -9.039 Base-Backbone interact. energy: -0.015 local terms energy: -24.276897 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.464 flat angles C4'-P-C4' energy: -6.533 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -44.553789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.553789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.553789 (E_RNA) where: Base-Base interactions energy: -15.779 where: short stacking energy: -15.779 Base-Backbone interact. energy: -0.012 local terms energy: -28.763121 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -58.245925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.245925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.245925 (E_RNA) where: Base-Base interactions energy: -20.214 where: short stacking energy: -19.068 Base-Backbone interact. energy: -0.061 local terms energy: -37.970620 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -7.317 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: 2, replica: 10 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -57.188063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.188063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.188063 (E_RNA) where: Base-Base interactions energy: -21.862 where: short stacking energy: -21.847 Base-Backbone interact. energy: -0.000 local terms energy: -35.325793 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -5.789 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: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -56.674118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.674118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.674118 (E_RNA) where: Base-Base interactions energy: -24.013 where: short stacking energy: -24.013 Base-Backbone interact. energy: -0.019 local terms energy: -32.641960 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -6.900 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: 4, replica: 7 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -65.929521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.929521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.929521 (E_RNA) where: Base-Base interactions energy: -28.833 where: short stacking energy: -28.833 Base-Backbone interact. energy: -0.001 local terms energy: -37.095611 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -9.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -57.062158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.062158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.062158 (E_RNA) where: Base-Base interactions energy: -25.033 where: short stacking energy: -25.033 Base-Backbone interact. energy: -0.000 local terms energy: -32.029155 where: bonds (distance) C4'-P energy: -5.986 bonds (distance) P-C4' energy: -4.477 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -8.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -51.117039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.117039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.117039 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.000 local terms energy: -29.545938 where: bonds (distance) C4'-P energy: -3.530 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -7.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -44.796820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.796820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.796820 (E_RNA) where: Base-Base interactions energy: -18.889 where: short stacking energy: -18.889 Base-Backbone interact. energy: -0.234 local terms energy: -25.673418 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -4.791 tors. eta vs tors. theta energy: 0.243 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: 9 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -51.373091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.373091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.373091 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.000 local terms energy: -32.372371 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -3.943 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -45.049152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.049152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.049152 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -16.880 Base-Backbone interact. energy: -0.000 local terms energy: -27.856733 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -5.073 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: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -41.837623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.837623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.837623 (E_RNA) where: Base-Base interactions energy: -12.196 where: short stacking energy: -12.196 Base-Backbone interact. energy: -0.000 local terms energy: -29.641939 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.005 flat angles P-C4'-P energy: -2.877 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -69.894479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.894479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.894479 (E_RNA) where: Base-Base interactions energy: -30.155 where: short stacking energy: -30.155 Base-Backbone interact. energy: -0.000 local terms energy: -39.739316 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.386 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -10.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -57.253930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.253930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.253930 (E_RNA) where: Base-Base interactions energy: -22.567 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.002 local terms energy: -34.684586 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.989 flat angles P-C4'-P energy: -6.512 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: 3, replica: 7 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -60.627312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.627312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.627312 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.221 local terms energy: -36.506539 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -56.116056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.116056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.116056 (E_RNA) where: Base-Base interactions energy: -21.946 where: short stacking energy: -11.778 Base-Backbone interact. energy: -0.101 local terms energy: -34.068844 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.929 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -1.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -52.372063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.372063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.372063 (E_RNA) where: Base-Base interactions energy: -22.252 where: short stacking energy: -22.050 Base-Backbone interact. energy: -0.010 local terms energy: -30.109465 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -5.747 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.593 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: 6, replica: 2 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -48.833107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.833107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.833107 (E_RNA) where: Base-Base interactions energy: -19.690 where: short stacking energy: -19.690 Base-Backbone interact. energy: -0.002 local terms energy: -29.140467 where: bonds (distance) C4'-P energy: -6.065 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -3.775 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: 7, replica: 9 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -55.519612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.519612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.519612 (E_RNA) where: Base-Base interactions energy: -27.106 where: short stacking energy: -25.892 Base-Backbone interact. energy: -0.001 local terms energy: -28.412780 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -7.060 flat angles P-C4'-P energy: -2.325 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -41.279270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.279270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.279270 (E_RNA) where: Base-Base interactions energy: -12.545 where: short stacking energy: -12.545 Base-Backbone interact. energy: -0.079 local terms energy: -28.655633 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -4.874 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: 9, replica: 8 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -42.851763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.851763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.851763 (E_RNA) where: Base-Base interactions energy: -15.087 where: short stacking energy: -15.087 Base-Backbone interact. energy: -0.122 local terms energy: -27.642338 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -4.914 flat angles C4'-P-C4' energy: -3.186 flat angles P-C4'-P energy: -7.490 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: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -41.810172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.810172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.810172 (E_RNA) where: Base-Base interactions energy: -10.912 where: short stacking energy: -10.912 Base-Backbone interact. energy: -0.025 local terms energy: -30.873450 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.539 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -60.007223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.007223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.007223 (E_RNA) where: Base-Base interactions energy: -24.468 where: short stacking energy: -24.468 Base-Backbone interact. energy: 0.071 local terms energy: -35.610159 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -7.579 flat angles C4'-P-C4' energy: -8.903 flat angles P-C4'-P energy: -6.212 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: 7 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -59.455259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.455259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.455259 (E_RNA) where: Base-Base interactions energy: -23.757 where: short stacking energy: -23.757 Base-Backbone interact. energy: -0.000 local terms energy: -35.697653 where: bonds (distance) C4'-P energy: -7.763 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -5.934 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -50.883690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.883690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.883690 (E_RNA) where: Base-Base interactions energy: -18.391 where: short stacking energy: -18.138 Base-Backbone interact. energy: -0.000 local terms energy: -32.492424 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.044 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -59.412134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.412134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.412134 (E_RNA) where: Base-Base interactions energy: -24.860 where: short stacking energy: -24.860 Base-Backbone interact. energy: -0.001 local terms energy: -34.551370 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.320 flat angles P-C4'-P energy: -5.180 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: 5, replica: 5 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -46.309571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.309571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.309571 (E_RNA) where: Base-Base interactions energy: -16.762 where: short stacking energy: -11.931 Base-Backbone interact. energy: -0.175 local terms energy: -29.372615 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -4.284 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: 6, replica: 9 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -60.414893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.414893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.414893 (E_RNA) where: Base-Base interactions energy: -26.071 where: short stacking energy: -26.071 Base-Backbone interact. energy: -0.012 local terms energy: -34.332750 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.600 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -4.719 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: 7, replica: 2 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -48.594137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.594137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.594137 (E_RNA) where: Base-Base interactions energy: -23.000 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.089 local terms energy: -25.505279 where: bonds (distance) C4'-P energy: -5.484 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -1.235 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: 8, replica: 8 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -46.476923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.476923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.476923 (E_RNA) where: Base-Base interactions energy: -19.810 where: short stacking energy: -19.810 Base-Backbone interact. energy: -0.013 local terms energy: -26.653578 where: bonds (distance) C4'-P energy: -6.299 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -50.624037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.624037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.624037 (E_RNA) where: Base-Base interactions energy: -18.872 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.009 local terms energy: -31.742912 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -4.822 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: 10, replica: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -45.311150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.311150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.311150 (E_RNA) where: Base-Base interactions energy: -15.472 where: short stacking energy: -15.472 Base-Backbone interact. energy: -0.005 local terms energy: -29.834739 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -2.571 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: 1, replica: 7 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -71.445084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.445084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.445084 (E_RNA) where: Base-Base interactions energy: -32.367 where: short stacking energy: -32.367 Base-Backbone interact. energy: -0.000 local terms energy: -39.078360 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -6.410 tors. eta vs tors. theta energy: -9.888 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: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -64.211381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.211381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.211381 (E_RNA) where: Base-Base interactions energy: -27.650 where: short stacking energy: -23.886 Base-Backbone interact. energy: -0.001 local terms energy: -36.560220 where: bonds (distance) C4'-P energy: -4.695 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.209 flat angles P-C4'-P energy: -6.171 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: 72 Temperature: 1.000000 Total energy: -59.038898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.038898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.038898 (E_RNA) where: Base-Base interactions energy: -22.269 where: short stacking energy: -22.269 Base-Backbone interact. energy: -0.011 local terms energy: -36.758856 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -6.876 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: 1 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -57.074069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.074069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.074069 (E_RNA) where: Base-Base interactions energy: -22.035 where: short stacking energy: -22.035 Base-Backbone interact. energy: -0.000 local terms energy: -35.039455 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.754 flat angles P-C4'-P energy: -5.485 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: 9 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -56.732740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.732740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.732740 (E_RNA) where: Base-Base interactions energy: -22.121 where: short stacking energy: -21.613 Base-Backbone interact. energy: -0.100 local terms energy: -34.511440 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -8.192 flat angles P-C4'-P energy: -5.941 tors. eta vs tors. theta energy: -5.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -48.073438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.073438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.073438 (E_RNA) where: Base-Base interactions energy: -18.275 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.000 local terms energy: -29.798610 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.220 flat angles P-C4'-P energy: -2.033 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: 7, replica: 2 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -50.496433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.496433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.496433 (E_RNA) where: Base-Base interactions energy: -16.780 where: short stacking energy: -16.780 Base-Backbone interact. energy: -0.000 local terms energy: -33.716589 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -6.594 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: 8, replica: 8 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -39.351366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.351366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.351366 (E_RNA) where: Base-Base interactions energy: -12.469 where: short stacking energy: -12.469 Base-Backbone interact. energy: 0.892 local terms energy: -27.773697 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -2.555 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: 9, replica: 6 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -44.399599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.399599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.399599 (E_RNA) where: Base-Base interactions energy: -13.599 where: short stacking energy: -13.599 Base-Backbone interact. energy: -0.044 local terms energy: -30.757201 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.397 tors. eta vs tors. theta energy: -3.170 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: 3 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -46.288670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.288670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.288670 (E_RNA) where: Base-Base interactions energy: -14.287 where: short stacking energy: -14.487 Base-Backbone interact. energy: -0.009 local terms energy: -31.993043 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -6.017 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: 1, replica: 7 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -62.942591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.942591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.942591 (E_RNA) where: Base-Base interactions energy: -27.293 where: short stacking energy: -27.293 Base-Backbone interact. energy: -0.002 local terms energy: -35.648075 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -6.233 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: 2, replica: 10 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -77.703521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.703521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.703521 (E_RNA) where: Base-Base interactions energy: -43.699 where: short stacking energy: -23.710 Base-Backbone interact. energy: -0.000 local terms energy: -34.003846 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.632 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -52.096192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.096192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.096192 (E_RNA) where: Base-Base interactions energy: -20.083 where: short stacking energy: -20.083 Base-Backbone interact. energy: -0.000 local terms energy: -32.012943 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -6.429 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.286 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -61.026851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.026851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.026851 (E_RNA) where: Base-Base interactions energy: -32.109 where: short stacking energy: -20.004 Base-Backbone interact. energy: -0.002 local terms energy: -28.916580 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -4.447 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: 5, replica: 9 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -54.527160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.527160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.527160 (E_RNA) where: Base-Base interactions energy: -20.199 where: short stacking energy: -20.199 Base-Backbone interact. energy: -0.000 local terms energy: -34.327916 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -8.317 flat angles P-C4'-P energy: -3.044 tors. eta vs tors. theta energy: -6.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -50.825708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.825708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.825708 (E_RNA) where: Base-Base interactions energy: -20.921 where: short stacking energy: -20.921 Base-Backbone interact. energy: 0.093 local terms energy: -29.997558 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -5.076 flat angles C4'-P-C4' energy: -5.821 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -6.959 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: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -42.749174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.749174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.749174 (E_RNA) where: Base-Base interactions energy: -13.857 where: short stacking energy: -13.626 Base-Backbone interact. energy: -0.031 local terms energy: -28.861135 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.870 flat angles C4'-P-C4' energy: -7.393 flat angles P-C4'-P energy: -2.222 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: 8, replica: 6 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -47.122505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.122505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.122505 (E_RNA) where: Base-Base interactions energy: -24.386 where: short stacking energy: -9.190 Base-Backbone interact. energy: -0.277 local terms energy: -22.459875 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -2.423 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: 9, replica: 8 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -41.817592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.817592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.817592 (E_RNA) where: Base-Base interactions energy: -12.929 where: short stacking energy: -12.929 Base-Backbone interact. energy: 0.384 local terms energy: -29.272176 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -41.835208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.835208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.835208 (E_RNA) where: Base-Base interactions energy: -15.875 where: short stacking energy: -17.275 Base-Backbone interact. energy: -0.020 local terms energy: -25.940439 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -6.827 flat angles C4'-P-C4' energy: -5.879 flat angles P-C4'-P energy: -2.532 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -74.522063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.522063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.522063 (E_RNA) where: Base-Base interactions energy: -38.938 where: short stacking energy: -30.172 Base-Backbone interact. energy: -0.002 local terms energy: -35.582677 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -7.935 flat angles P-C4'-P energy: -5.916 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: 7 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -60.946747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.946747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.946747 (E_RNA) where: Base-Base interactions energy: -21.722 where: short stacking energy: -21.722 Base-Backbone interact. energy: -0.000 local terms energy: -39.224430 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -8.385 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -7.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -64.201197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.201197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.201197 (E_RNA) where: Base-Base interactions energy: -25.292 where: short stacking energy: -21.240 Base-Backbone interact. energy: -0.001 local terms energy: -38.908400 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -9.038 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -68.097202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.097202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.097202 (E_RNA) where: Base-Base interactions energy: -28.190 where: short stacking energy: -28.190 Base-Backbone interact. energy: -0.000 local terms energy: -39.907207 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.812 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -9.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -56.646686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.646686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.646686 (E_RNA) where: Base-Base interactions energy: -25.168 where: short stacking energy: -25.168 Base-Backbone interact. energy: -0.043 local terms energy: -31.435504 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -5.370 flat angles P-C4'-P energy: -4.543 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: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -51.839109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.839109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.839109 (E_RNA) where: Base-Base interactions energy: -20.370 where: short stacking energy: -20.370 Base-Backbone interact. energy: -0.002 local terms energy: -31.467047 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.323 flat angles P-C4'-P energy: -3.700 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -47.580227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.580227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.580227 (E_RNA) where: Base-Base interactions energy: -20.022 where: short stacking energy: -19.683 Base-Backbone interact. energy: -0.019 local terms energy: -27.539414 where: bonds (distance) C4'-P energy: -5.518 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -4.781 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: 74 Temperature: 1.250000 Total energy: -48.556381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.556381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.556381 (E_RNA) where: Base-Base interactions energy: -24.694 where: short stacking energy: -23.836 Base-Backbone interact. energy: -0.005 local terms energy: -23.857559 where: bonds (distance) C4'-P energy: -6.151 bonds (distance) P-C4' energy: -4.885 flat angles C4'-P-C4' energy: -6.122 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: -3.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -42.520242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.520242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.520242 (E_RNA) where: Base-Base interactions energy: -19.071 where: short stacking energy: -14.040 Base-Backbone interact. energy: -0.153 local terms energy: -23.296546 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -5.751 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -2.859 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: 10, replica: 8 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -40.060578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.060578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.060578 (E_RNA) where: Base-Base interactions energy: -10.621 where: short stacking energy: -10.621 Base-Backbone interact. energy: -0.001 local terms energy: -29.438573 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -4.427 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: 1, replica: 10 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -68.076084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.076084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.076084 (E_RNA) where: Base-Base interactions energy: -31.943 where: short stacking energy: -23.254 Base-Backbone interact. energy: -0.000 local terms energy: -36.133265 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -5.247 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: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -64.948595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.948595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.948595 (E_RNA) where: Base-Base interactions energy: -26.480 where: short stacking energy: -26.480 Base-Backbone interact. energy: -0.000 local terms energy: -38.468641 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.431 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -9.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -75.474273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.474273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.474273 (E_RNA) where: Base-Base interactions energy: -35.775 where: short stacking energy: -26.480 Base-Backbone interact. energy: -0.087 local terms energy: -39.612942 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.449 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -8.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -63.218899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.218899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.218899 (E_RNA) where: Base-Base interactions energy: -25.257 where: short stacking energy: -21.572 Base-Backbone interact. energy: -1.460 local terms energy: -36.501610 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.741 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: 5, replica: 4 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -59.675233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.675233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.675233 (E_RNA) where: Base-Base interactions energy: -27.605 where: short stacking energy: -27.605 Base-Backbone interact. energy: -0.007 local terms energy: -32.062903 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -46.444209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.444209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.444209 (E_RNA) where: Base-Base interactions energy: -17.429 where: short stacking energy: -17.429 Base-Backbone interact. energy: -0.036 local terms energy: -28.979020 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -5.349 flat angles C4'-P-C4' energy: -7.637 flat angles P-C4'-P energy: -4.986 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: 7, replica: 9 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -44.483851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.483851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.483851 (E_RNA) where: Base-Base interactions energy: -18.355 where: short stacking energy: -18.355 Base-Backbone interact. energy: -0.002 local terms energy: -26.126948 where: bonds (distance) C4'-P energy: -4.486 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.450 flat angles P-C4'-P energy: -3.341 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -43.265698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.265698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.265698 (E_RNA) where: Base-Base interactions energy: -13.758 where: short stacking energy: -13.958 Base-Backbone interact. energy: -0.039 local terms energy: -29.468473 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: 0.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -43.001722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.001722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.001722 (E_RNA) where: Base-Base interactions energy: -17.330 where: short stacking energy: -17.330 Base-Backbone interact. energy: -0.023 local terms energy: -25.648946 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -5.373 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -0.784 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: 10, replica: 8 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -40.577635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.577635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.577635 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.003 local terms energy: -26.152079 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -4.203 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: 1, replica: 7 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -64.013840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.013840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.013840 (E_RNA) where: Base-Base interactions energy: -24.931 where: short stacking energy: -24.931 Base-Backbone interact. energy: -0.002 local terms energy: -39.081038 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -8.568 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: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -64.315560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.315560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.315560 (E_RNA) where: Base-Base interactions energy: -32.789 where: short stacking energy: -25.774 Base-Backbone interact. energy: -0.010 local terms energy: -31.515930 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.497 flat angles P-C4'-P energy: -2.775 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -57.856883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.856883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.856883 (E_RNA) where: Base-Base interactions energy: -24.012 where: short stacking energy: -24.012 Base-Backbone interact. energy: -0.048 local terms energy: -33.796422 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -4.515 tors. eta vs tors. theta energy: -4.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -69.016549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.016549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.016549 (E_RNA) where: Base-Base interactions energy: -30.046 where: short stacking energy: -26.572 Base-Backbone interact. energy: -0.023 local terms energy: -38.948100 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -8.197 flat angles P-C4'-P energy: -6.254 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: 5, replica: 6 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -47.114397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.114397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.114397 (E_RNA) where: Base-Base interactions energy: -15.743 where: short stacking energy: -15.743 Base-Backbone interact. energy: -0.151 local terms energy: -31.220485 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -3.994 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: 6, replica: 4 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -54.771614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.771614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.771614 (E_RNA) where: Base-Base interactions energy: -21.017 where: short stacking energy: -21.017 Base-Backbone interact. energy: -0.000 local terms energy: -33.754872 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -4.398 flat angles P-C4'-P energy: -7.107 tors. eta vs tors. theta energy: -6.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -46.572282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.572282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.572282 (E_RNA) where: Base-Base interactions energy: -16.913 where: short stacking energy: -16.913 Base-Backbone interact. energy: -0.388 local terms energy: -29.270637 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -2.501 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: 3 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -47.061693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.061693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.061693 (E_RNA) where: Base-Base interactions energy: -16.264 where: short stacking energy: -16.264 Base-Backbone interact. energy: -0.013 local terms energy: -30.784474 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -2.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -49.895725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.895725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.895725 (E_RNA) where: Base-Base interactions energy: -18.492 where: short stacking energy: -18.492 Base-Backbone interact. energy: 0.420 local terms energy: -31.823965 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.025 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -41.798315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.798315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.798315 (E_RNA) where: Base-Base interactions energy: -18.658 where: short stacking energy: -15.412 Base-Backbone interact. energy: -0.136 local terms energy: -23.003461 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -5.683 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: 1, replica: 7 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -69.962316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.962316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.962316 (E_RNA) where: Base-Base interactions energy: -41.001 where: short stacking energy: -14.439 Base-Backbone interact. energy: -0.702 local terms energy: -28.259823 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.340 flat angles P-C4'-P energy: -3.983 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: 2, replica: 2 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -60.932133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.932133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.932133 (E_RNA) where: Base-Base interactions energy: -23.426 where: short stacking energy: -23.426 Base-Backbone interact. energy: -0.000 local terms energy: -37.505629 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -63.551640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.551640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.551640 (E_RNA) where: Base-Base interactions energy: -27.946 where: short stacking energy: -27.946 Base-Backbone interact. energy: -0.000 local terms energy: -35.605162 where: bonds (distance) C4'-P energy: -7.087 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: -10.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -56.653288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.653288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.653288 (E_RNA) where: Base-Base interactions energy: -27.153 where: short stacking energy: -27.153 Base-Backbone interact. energy: -0.000 local terms energy: -29.500422 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -6.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -60.925202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.925202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.925202 (E_RNA) where: Base-Base interactions energy: -32.725 where: short stacking energy: -26.313 Base-Backbone interact. energy: -0.008 local terms energy: -28.192118 where: bonds (distance) C4'-P energy: -6.399 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -3.795 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: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -59.094964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.094964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.094964 (E_RNA) where: Base-Base interactions energy: -23.974 where: short stacking energy: -23.974 Base-Backbone interact. energy: -0.001 local terms energy: -35.120354 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.697 flat angles P-C4'-P energy: -3.654 tors. eta vs tors. theta energy: -10.062 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: 77 Temperature: 1.200000 Total energy: -50.669747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.669747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.669747 (E_RNA) where: Base-Base interactions energy: -18.163 where: short stacking energy: -11.013 Base-Backbone interact. energy: -0.001 local terms energy: -32.505780 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.710 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -53.715660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.715660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.715660 (E_RNA) where: Base-Base interactions energy: -19.820 where: short stacking energy: -19.820 Base-Backbone interact. energy: -0.001 local terms energy: -33.894722 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -4.215 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: 9, replica: 8 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -54.555953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.555953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.555953 (E_RNA) where: Base-Base interactions energy: -21.139 where: short stacking energy: -21.139 Base-Backbone interact. energy: -0.001 local terms energy: -33.416581 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.383 flat angles P-C4'-P energy: -6.427 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: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -40.637024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637024 (E_RNA) where: Base-Base interactions energy: -20.153 where: short stacking energy: -20.153 Base-Backbone interact. energy: 0.159 local terms energy: -20.642163 where: bonds (distance) C4'-P energy: -3.795 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -0.738 tors. eta vs tors. theta energy: -4.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -69.681315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.681315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.681315 (E_RNA) where: Base-Base interactions energy: -31.785 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.000 local terms energy: -37.896579 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -4.902 tors. eta vs tors. theta energy: -8.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -73.121107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.121107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.121107 (E_RNA) where: Base-Base interactions energy: -34.043 where: short stacking energy: -28.755 Base-Backbone interact. energy: -0.399 local terms energy: -38.679644 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -9.852 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: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -54.818315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.818315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.818315 (E_RNA) where: Base-Base interactions energy: -22.344 where: short stacking energy: -20.758 Base-Backbone interact. energy: -0.125 local terms energy: -32.348859 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -5.157 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: 4, replica: 10 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -59.051613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.051613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.051613 (E_RNA) where: Base-Base interactions energy: -23.253 where: short stacking energy: -23.253 Base-Backbone interact. energy: -0.000 local terms energy: -35.798293 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -6.570 tors. eta vs tors. theta energy: -5.217 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: 9 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -47.719371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.719371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.719371 (E_RNA) where: Base-Base interactions energy: -17.153 where: short stacking energy: -17.153 Base-Backbone interact. energy: -0.001 local terms energy: -30.564721 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -0.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -51.727885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.727885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.727885 (E_RNA) where: Base-Base interactions energy: -21.306 where: short stacking energy: -13.297 Base-Backbone interact. energy: -0.262 local terms energy: -30.159126 where: bonds (distance) C4'-P energy: -6.280 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -3.844 tors. eta vs tors. theta energy: -4.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -45.056344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.056344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.056344 (E_RNA) where: Base-Base interactions energy: -13.343 where: short stacking energy: -13.343 Base-Backbone interact. energy: -0.001 local terms energy: -31.712880 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -4.383 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: 8, replica: 4 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -48.470205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.470205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.470205 (E_RNA) where: Base-Base interactions energy: -17.946 where: short stacking energy: -15.613 Base-Backbone interact. energy: -0.002 local terms energy: -30.522863 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -2.199 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: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -46.073855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.073855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.073855 (E_RNA) where: Base-Base interactions energy: -20.598 where: short stacking energy: -20.598 Base-Backbone interact. energy: -0.009 local terms energy: -25.466885 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -3.052 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -3.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -47.094475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.094475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.094475 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.001 local terms energy: -28.588652 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.244 flat angles P-C4'-P energy: -5.592 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: 1, replica: 2 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -61.295400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.295400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.295400 (E_RNA) where: Base-Base interactions energy: -28.609 where: short stacking energy: -18.115 Base-Backbone interact. energy: -0.031 local terms energy: -32.655669 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -6.006 tors. eta vs tors. theta energy: -1.387 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: 2, replica: 1 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -67.040070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.040070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.040070 (E_RNA) where: Base-Base interactions energy: -37.745 where: short stacking energy: -30.737 Base-Backbone interact. energy: -0.000 local terms energy: -29.294917 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -4.722 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -1.946 tors. eta vs tors. theta energy: -7.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -59.148866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.148866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.148866 (E_RNA) where: Base-Base interactions energy: -28.490 where: short stacking energy: -28.490 Base-Backbone interact. energy: -0.013 local terms energy: -30.645933 where: bonds (distance) C4'-P energy: -3.245 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.510 flat angles P-C4'-P energy: -5.458 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -54.287842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.287842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.287842 (E_RNA) where: Base-Base interactions energy: -22.943 where: short stacking energy: -17.185 Base-Backbone interact. energy: -0.080 local terms energy: -31.264536 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.769 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: 5, replica: 10 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -47.870757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.870757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.870757 (E_RNA) where: Base-Base interactions energy: -15.864 where: short stacking energy: -15.864 Base-Backbone interact. energy: -0.000 local terms energy: -32.007154 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -5.134 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: 6, replica: 3 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -55.472786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.472786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.472786 (E_RNA) where: Base-Base interactions energy: -21.181 where: short stacking energy: -21.181 Base-Backbone interact. energy: -0.008 local terms energy: -34.283828 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -5.495 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: 6 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -59.463519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.463519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.463519 (E_RNA) where: Base-Base interactions energy: -29.203 where: short stacking energy: -21.656 Base-Backbone interact. energy: -0.004 local terms energy: -30.256933 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -40.978323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.978323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.978323 (E_RNA) where: Base-Base interactions energy: -10.320 where: short stacking energy: -10.320 Base-Backbone interact. energy: -0.070 local terms energy: -30.588288 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.282 flat angles P-C4'-P energy: -4.899 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: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -51.995648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.995648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.995648 (E_RNA) where: Base-Base interactions energy: -23.756 where: short stacking energy: -23.756 Base-Backbone interact. energy: -0.008 local terms energy: -28.231270 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -0.875 flat angles P-C4'-P energy: -4.794 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: 10, replica: 8 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -43.040187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.040187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.040187 (E_RNA) where: Base-Base interactions energy: -15.828 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.001 local terms energy: -27.210903 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -7.535 flat angles P-C4'-P energy: -3.894 tors. eta vs tors. theta energy: -3.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -67.882073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.882073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.882073 (E_RNA) where: Base-Base interactions energy: -32.097 where: short stacking energy: -32.097 Base-Backbone interact. energy: -0.000 local terms energy: -35.785317 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -3.707 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: 2, replica: 2 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -74.552461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.552461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.552461 (E_RNA) where: Base-Base interactions energy: -39.766 where: short stacking energy: -30.612 Base-Backbone interact. energy: -0.745 local terms energy: -34.041331 where: bonds (distance) C4'-P energy: -6.284 bonds (distance) P-C4' energy: -7.702 flat angles C4'-P-C4' energy: -8.388 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -61.255158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.255158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.255158 (E_RNA) where: Base-Base interactions energy: -27.350 where: short stacking energy: -27.350 Base-Backbone interact. energy: -0.000 local terms energy: -33.905250 where: bonds (distance) C4'-P energy: -5.369 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -3.136 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: 4, replica: 7 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -47.989061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.989061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.989061 (E_RNA) where: Base-Base interactions energy: -21.364 where: short stacking energy: -20.680 Base-Backbone interact. energy: -0.001 local terms energy: -26.624538 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -5.532 flat angles P-C4'-P energy: -5.501 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: 5, replica: 3 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -49.867193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.867193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.867193 (E_RNA) where: Base-Base interactions energy: -16.801 where: short stacking energy: -15.543 Base-Backbone interact. energy: -0.008 local terms energy: -33.058131 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.331 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -5.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -48.295158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.295158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.295158 (E_RNA) where: Base-Base interactions energy: -20.508 where: short stacking energy: -20.508 Base-Backbone interact. energy: -0.043 local terms energy: -27.744794 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -3.616 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -52.236314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.236314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.236314 (E_RNA) where: Base-Base interactions energy: -20.576 where: short stacking energy: -19.049 Base-Backbone interact. energy: -0.073 local terms energy: -31.586774 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -2.373 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -52.902695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.902695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.902695 (E_RNA) where: Base-Base interactions energy: -20.568 where: short stacking energy: -12.694 Base-Backbone interact. energy: 0.828 local terms energy: -33.162363 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -3.607 tors. eta vs tors. theta energy: -4.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -40.569922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.569922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.569922 (E_RNA) where: Base-Base interactions energy: -13.698 where: short stacking energy: -12.868 Base-Backbone interact. energy: -0.000 local terms energy: -26.871786 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -6.611 flat angles P-C4'-P energy: -4.626 tors. eta vs tors. theta energy: -3.741 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: 5 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -41.131618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.131618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.131618 (E_RNA) where: Base-Base interactions energy: -9.678 where: short stacking energy: -9.678 Base-Backbone interact. energy: -0.020 local terms energy: -31.433132 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -3.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -70.356120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.356120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.356120 (E_RNA) where: Base-Base interactions energy: -29.515 where: short stacking energy: -29.515 Base-Backbone interact. energy: -0.000 local terms energy: -40.841508 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.986 flat angles P-C4'-P energy: -7.176 tors. eta vs tors. theta energy: -9.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -74.278739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.278739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.278739 (E_RNA) where: Base-Base interactions energy: -45.667 where: short stacking energy: -18.328 Base-Backbone interact. energy: -0.105 local terms energy: -28.506438 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.636 flat angles P-C4'-P energy: -3.845 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: 3, replica: 9 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -61.070370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.070370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.070370 (E_RNA) where: Base-Base interactions energy: -30.039 where: short stacking energy: -26.024 Base-Backbone interact. energy: -0.032 local terms energy: -30.998996 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -58.974370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.974370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.974370 (E_RNA) where: Base-Base interactions energy: -26.719 where: short stacking energy: -26.719 Base-Backbone interact. energy: -0.019 local terms energy: -32.236288 where: bonds (distance) C4'-P energy: -8.064 bonds (distance) P-C4' energy: -6.869 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -3.320 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -52.314189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.314189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.314189 (E_RNA) where: Base-Base interactions energy: -16.877 where: short stacking energy: -16.877 Base-Backbone interact. energy: 0.022 local terms energy: -35.459072 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -50.876354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.876354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.876354 (E_RNA) where: Base-Base interactions energy: -21.183 where: short stacking energy: -19.248 Base-Backbone interact. energy: -0.001 local terms energy: -29.693085 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.730 flat angles C4'-P-C4' energy: -6.239 flat angles P-C4'-P energy: -3.191 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: 7, replica: 4 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -47.099012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.099012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.099012 (E_RNA) where: Base-Base interactions energy: -15.870 where: short stacking energy: -15.870 Base-Backbone interact. energy: -0.003 local terms energy: -31.225689 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -5.910 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -46.611280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.611280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.611280 (E_RNA) where: Base-Base interactions energy: -16.260 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.046 local terms energy: -30.305639 where: bonds (distance) C4'-P energy: -6.385 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.655 flat angles P-C4'-P energy: -3.210 tors. eta vs tors. theta energy: -4.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -41.560674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.560674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.560674 (E_RNA) where: Base-Base interactions energy: -13.596 where: short stacking energy: -13.596 Base-Backbone interact. energy: -0.011 local terms energy: -27.953677 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.400 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -1.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -55.012872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.012872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.012872 (E_RNA) where: Base-Base interactions energy: -23.581 where: short stacking energy: -14.829 Base-Backbone interact. energy: -0.005 local terms energy: -31.426739 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -3.328 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -68.528213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.528213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.528213 (E_RNA) where: Base-Base interactions energy: -32.600 where: short stacking energy: -32.600 Base-Backbone interact. energy: -0.000 local terms energy: -35.927719 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -6.715 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -9.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -58.919876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.919876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.919876 (E_RNA) where: Base-Base interactions energy: -25.733 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.002 local terms energy: -33.184802 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -2.397 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -63.587143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.587143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.587143 (E_RNA) where: Base-Base interactions energy: -24.561 where: short stacking energy: -24.561 Base-Backbone interact. energy: -0.000 local terms energy: -39.025701 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -8.165 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -9.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -58.152791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.152791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.152791 (E_RNA) where: Base-Base interactions energy: -27.111 where: short stacking energy: -23.380 Base-Backbone interact. energy: -0.000 local terms energy: -31.041759 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -5.650 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -6.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -46.489175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.489175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.489175 (E_RNA) where: Base-Base interactions energy: -17.669 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.121 local terms energy: -28.698475 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.186 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: 6, replica: 7 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -53.918019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.918019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.918019 (E_RNA) where: Base-Base interactions energy: -22.922 where: short stacking energy: -22.922 Base-Backbone interact. energy: -0.052 local terms energy: -30.944256 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.125 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -4.778 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: 8 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -44.814888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.814888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.814888 (E_RNA) where: Base-Base interactions energy: -24.354 where: short stacking energy: -24.354 Base-Backbone interact. energy: -0.107 local terms energy: -20.353836 where: bonds (distance) C4'-P energy: -3.724 bonds (distance) P-C4' energy: -4.559 flat angles C4'-P-C4' energy: -4.116 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -47.442130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.442130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.442130 (E_RNA) where: Base-Base interactions energy: -12.876 where: short stacking energy: -12.876 Base-Backbone interact. energy: -0.000 local terms energy: -34.566049 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -5.832 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: 9, replica: 5 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -42.962479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.962479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.962479 (E_RNA) where: Base-Base interactions energy: -14.110 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.046 local terms energy: -28.805564 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -6.683 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -5.600 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: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -41.401222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.401222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.401222 (E_RNA) where: Base-Base interactions energy: -16.184 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.022 local terms energy: -25.194658 where: bonds (distance) C4'-P energy: -4.214 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -3.211 tors. eta vs tors. theta energy: -2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -68.079422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.079422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.079422 (E_RNA) where: Base-Base interactions energy: -31.901 where: short stacking energy: -31.901 Base-Backbone interact. energy: -0.000 local terms energy: -36.178464 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -4.986 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: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -65.639717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.639717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.639717 (E_RNA) where: Base-Base interactions energy: -30.671 where: short stacking energy: -17.437 Base-Backbone interact. energy: -0.016 local terms energy: -34.952824 where: bonds (distance) C4'-P energy: -7.406 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -9.072 flat angles P-C4'-P energy: -7.218 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: 3, replica: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -55.368848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.368848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.368848 (E_RNA) where: Base-Base interactions energy: -23.084 where: short stacking energy: -23.084 Base-Backbone interact. energy: -0.001 local terms energy: -32.284169 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.658 flat angles P-C4'-P energy: -4.033 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: 4, replica: 9 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -55.345063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.345063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.345063 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -27.869 Base-Backbone interact. energy: -0.000 local terms energy: -27.475991 where: bonds (distance) C4'-P energy: -5.311 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -0.988 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -58.741552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.741552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.741552 (E_RNA) where: Base-Base interactions energy: -20.903 where: short stacking energy: -20.903 Base-Backbone interact. energy: -0.094 local terms energy: -37.744185 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.654 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -6.982 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: 7 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -60.387152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.387152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.387152 (E_RNA) where: Base-Base interactions energy: -29.020 where: short stacking energy: -15.118 Base-Backbone interact. energy: -0.069 local terms energy: -31.298947 where: bonds (distance) C4'-P energy: -5.693 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -5.521 tors. eta vs tors. theta energy: -4.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -54.458646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.458646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.458646 (E_RNA) where: Base-Base interactions energy: -21.148 where: short stacking energy: -18.511 Base-Backbone interact. energy: -0.013 local terms energy: -33.297951 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -5.581 tors. eta vs tors. theta energy: -4.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -48.599257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.599257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.599257 (E_RNA) where: Base-Base interactions energy: -21.118 where: short stacking energy: -21.118 Base-Backbone interact. energy: -0.018 local terms energy: -27.463181 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.966 flat angles P-C4'-P energy: -5.254 tors. eta vs tors. theta energy: -3.451 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: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -45.313575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.313575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.313575 (E_RNA) where: Base-Base interactions energy: -21.954 where: short stacking energy: -21.954 Base-Backbone interact. energy: -0.002 local terms energy: -23.357549 where: bonds (distance) C4'-P energy: -2.947 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.079 flat angles P-C4'-P energy: -2.829 tors. eta vs tors. theta energy: -1.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -42.201017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.201017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.201017 (E_RNA) where: Base-Base interactions energy: -17.178 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.053 local terms energy: -24.970169 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -1.267 tors. eta vs tors. theta energy: -3.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -64.498914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.498914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.498914 (E_RNA) where: Base-Base interactions energy: -30.213 where: short stacking energy: -30.213 Base-Backbone interact. energy: -0.001 local terms energy: -34.285449 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -5.826 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -57.969019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.969019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.969019 (E_RNA) where: Base-Base interactions energy: -26.980 where: short stacking energy: -26.980 Base-Backbone interact. energy: -0.009 local terms energy: -30.979792 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -5.178 flat angles P-C4'-P energy: -3.536 tors. eta vs tors. theta energy: -7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -53.256187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.256187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.256187 (E_RNA) where: Base-Base interactions energy: -18.866 where: short stacking energy: -18.866 Base-Backbone interact. energy: -0.000 local terms energy: -34.390076 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -8.336 flat angles P-C4'-P energy: -2.576 tors. eta vs tors. theta energy: -8.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -59.339869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.339869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.339869 (E_RNA) where: Base-Base interactions energy: -26.697 where: short stacking energy: -26.697 Base-Backbone interact. energy: -0.000 local terms energy: -32.643149 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -6.095 tors. eta vs tors. theta energy: -8.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -48.672914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.672914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.672914 (E_RNA) where: Base-Base interactions energy: -21.099 where: short stacking energy: -10.153 Base-Backbone interact. energy: -0.083 local terms energy: -27.490195 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: 0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -52.256233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.256233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.256233 (E_RNA) where: Base-Base interactions energy: -23.842 where: short stacking energy: -23.681 Base-Backbone interact. energy: -0.017 local terms energy: -28.397488 where: bonds (distance) C4'-P energy: -5.730 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -5.546 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -50.057006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.057006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.057006 (E_RNA) where: Base-Base interactions energy: -23.116 where: short stacking energy: -15.262 Base-Backbone interact. energy: 0.630 local terms energy: -27.571357 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -0.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -46.769290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.769290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.769290 (E_RNA) where: Base-Base interactions energy: -17.735 where: short stacking energy: -12.112 Base-Backbone interact. energy: -0.001 local terms energy: -29.033813 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -6.136 flat angles C4'-P-C4' energy: -6.679 flat angles P-C4'-P energy: -5.887 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -51.924166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.924166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.924166 (E_RNA) where: Base-Base interactions energy: -27.558 where: short stacking energy: -22.043 Base-Backbone interact. energy: -0.020 local terms energy: -24.345856 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -2.060 flat angles P-C4'-P energy: -2.214 tors. eta vs tors. theta energy: -7.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -42.772220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.772220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.772220 (E_RNA) where: Base-Base interactions energy: -13.456 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.002 local terms energy: -29.314533 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -6.174 flat angles P-C4'-P energy: -4.186 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: 1, replica: 3 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -67.735809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.735809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.735809 (E_RNA) where: Base-Base interactions energy: -27.971 where: short stacking energy: -27.971 Base-Backbone interact. energy: -0.000 local terms energy: -39.764743 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -7.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -65.488741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.488741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.488741 (E_RNA) where: Base-Base interactions energy: -28.972 where: short stacking energy: -28.972 Base-Backbone interact. energy: -0.000 local terms energy: -36.516278 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -6.432 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: 3, replica: 2 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -60.462040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.462040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.462040 (E_RNA) where: Base-Base interactions energy: -28.331 where: short stacking energy: -21.578 Base-Backbone interact. energy: -0.002 local terms energy: -32.129344 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -4.938 flat angles C4'-P-C4' energy: -7.167 flat angles P-C4'-P energy: -4.699 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: 4, replica: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -58.637857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.637857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.637857 (E_RNA) where: Base-Base interactions energy: -20.328 where: short stacking energy: -20.328 Base-Backbone interact. energy: -0.014 local terms energy: -38.295172 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -5.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -52.680837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.680837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.680837 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -21.936 Base-Backbone interact. energy: -0.000 local terms energy: -30.137075 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -5.059 flat angles P-C4'-P energy: -6.680 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: 6, replica: 10 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -48.005640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.005640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.005640 (E_RNA) where: Base-Base interactions energy: -17.488 where: short stacking energy: -15.179 Base-Backbone interact. energy: -0.184 local terms energy: -30.333751 where: bonds (distance) C4'-P energy: -5.432 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -6.248 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: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -45.491019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.491019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.491019 (E_RNA) where: Base-Base interactions energy: -15.539 where: short stacking energy: -15.539 Base-Backbone interact. energy: -0.033 local terms energy: -29.919447 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -0.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -50.628164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.628164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.628164 (E_RNA) where: Base-Base interactions energy: -22.864 where: short stacking energy: -14.574 Base-Backbone interact. energy: -0.076 local terms energy: -27.688086 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -1.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -46.828198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.828198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.828198 (E_RNA) where: Base-Base interactions energy: -19.265 where: short stacking energy: -19.265 Base-Backbone interact. energy: -0.032 local terms energy: -27.530434 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -1.740 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -51.264507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.264507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.264507 (E_RNA) where: Base-Base interactions energy: -21.269 where: short stacking energy: -20.527 Base-Backbone interact. energy: -0.184 local terms energy: -29.811905 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -6.258 flat angles P-C4'-P energy: -3.760 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: 1, replica: 3 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -75.775231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.775231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.775231 (E_RNA) where: Base-Base interactions energy: -34.590 where: short stacking energy: -34.590 Base-Backbone interact. energy: -0.000 local terms energy: -41.185529 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -10.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -64.906381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.906381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.906381 (E_RNA) where: Base-Base interactions energy: -29.157 where: short stacking energy: -29.157 Base-Backbone interact. energy: -0.000 local terms energy: -35.749564 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -6.068 tors. eta vs tors. theta energy: -9.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -57.074450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.074450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.074450 (E_RNA) where: Base-Base interactions energy: -24.441 where: short stacking energy: -16.372 Base-Backbone interact. energy: -0.232 local terms energy: -32.400861 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -5.108 tors. eta vs tors. theta energy: -0.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -51.618061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.618061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.618061 (E_RNA) where: Base-Base interactions energy: -15.619 where: short stacking energy: -15.619 Base-Backbone interact. energy: -0.013 local terms energy: -35.985339 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -6.549 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: 5, replica: 10 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -54.405719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.405719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.405719 (E_RNA) where: Base-Base interactions energy: -21.853 where: short stacking energy: -19.414 Base-Backbone interact. energy: -0.013 local terms energy: -32.539574 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -4.539 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: 6, replica: 1 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -44.864026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.864026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.864026 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -13.706 Base-Backbone interact. energy: -0.056 local terms energy: -23.739311 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -1.264 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -43.773896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.773896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.773896 (E_RNA) where: Base-Base interactions energy: -19.831 where: short stacking energy: -19.831 Base-Backbone interact. energy: -0.006 local terms energy: -23.936820 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.942 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -0.828 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: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -50.585209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.585209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.585209 (E_RNA) where: Base-Base interactions energy: -29.515 where: short stacking energy: -8.378 Base-Backbone interact. energy: -0.038 local terms energy: -21.031722 where: bonds (distance) C4'-P energy: -3.083 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.801 flat angles P-C4'-P energy: -6.448 tors. eta vs tors. theta energy: 2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -43.077674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.077674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.077674 (E_RNA) where: Base-Base interactions energy: -19.180 where: short stacking energy: -12.915 Base-Backbone interact. energy: -0.092 local terms energy: -23.805583 where: bonds (distance) C4'-P energy: -6.152 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -2.761 flat angles P-C4'-P energy: -6.308 tors. eta vs tors. theta energy: -0.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -51.401158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.401158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.401158 (E_RNA) where: Base-Base interactions energy: -23.007 where: short stacking energy: -22.227 Base-Backbone interact. energy: -0.000 local terms energy: -28.394323 where: bonds (distance) C4'-P energy: -6.661 bonds (distance) P-C4' energy: -6.112 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -6.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -76.225741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.225741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.225741 (E_RNA) where: Base-Base interactions energy: -37.165 where: short stacking energy: -36.735 Base-Backbone interact. energy: -0.000 local terms energy: -39.060727 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -10.885 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: 7 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -61.447628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.447628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.447628 (E_RNA) where: Base-Base interactions energy: -26.124 where: short stacking energy: -26.124 Base-Backbone interact. energy: -0.038 local terms energy: -35.286013 where: bonds (distance) C4'-P energy: -6.064 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -5.667 tors. eta vs tors. theta energy: -7.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -53.625836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.625836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.625836 (E_RNA) where: Base-Base interactions energy: -23.379 where: short stacking energy: -23.379 Base-Backbone interact. energy: -0.000 local terms energy: -30.246111 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -2.208 tors. eta vs tors. theta energy: -4.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -61.984928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.984928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.984928 (E_RNA) where: Base-Base interactions energy: -26.789 where: short stacking energy: -26.789 Base-Backbone interact. energy: -0.000 local terms energy: -35.196105 where: bonds (distance) C4'-P energy: -8.188 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -3.352 tors. eta vs tors. theta energy: -9.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -51.518954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.518954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.518954 (E_RNA) where: Base-Base interactions energy: -20.103 where: short stacking energy: -20.103 Base-Backbone interact. energy: -0.027 local terms energy: -31.388298 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -4.632 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: 6, replica: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -47.201536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.201536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.201536 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -14.731 Base-Backbone interact. energy: -0.342 local terms energy: -30.911661 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -7.791 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: 0.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -41.997061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.997061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.997061 (E_RNA) where: Base-Base interactions energy: -19.771 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.012 local terms energy: -22.214064 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -4.695 tors. eta vs tors. theta energy: 1.874 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: 8, replica: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -47.776625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.776625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.776625 (E_RNA) where: Base-Base interactions energy: -19.964 where: short stacking energy: -12.650 Base-Backbone interact. energy: -0.709 local terms energy: -27.103317 where: bonds (distance) C4'-P energy: -6.415 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.284 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -2.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -40.290559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.290559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.290559 (E_RNA) where: Base-Base interactions energy: -18.734 where: short stacking energy: -18.734 Base-Backbone interact. energy: -0.070 local terms energy: -21.486259 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: 1.635 tors. eta vs tors. theta energy: -1.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -42.842722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.842722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.842722 (E_RNA) where: Base-Base interactions energy: -12.734 where: short stacking energy: -12.734 Base-Backbone interact. energy: -0.002 local terms energy: -30.107142 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.358 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: 1, replica: 7 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -69.044260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.044260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.044260 (E_RNA) where: Base-Base interactions energy: -30.910 where: short stacking energy: -30.910 Base-Backbone interact. energy: -0.000 local terms energy: -38.134236 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.272 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -9.777 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: 2, replica: 3 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -67.902920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.902920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.902920 (E_RNA) where: Base-Base interactions energy: -30.059 where: short stacking energy: -30.059 Base-Backbone interact. energy: -0.001 local terms energy: -37.843073 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.947 flat angles P-C4'-P energy: -5.606 tors. eta vs tors. theta energy: -8.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -61.461349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.461349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.461349 (E_RNA) where: Base-Base interactions energy: -27.986 where: short stacking energy: -15.859 Base-Backbone interact. energy: -0.016 local terms energy: -33.459332 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.083 flat angles P-C4'-P energy: -5.771 tors. eta vs tors. theta energy: -4.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -52.855717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.855717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.855717 (E_RNA) where: Base-Base interactions energy: -22.149 where: short stacking energy: -16.589 Base-Backbone interact. energy: -0.049 local terms energy: -30.658151 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -0.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -48.495047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.495047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.495047 (E_RNA) where: Base-Base interactions energy: -22.593 where: short stacking energy: -22.295 Base-Backbone interact. energy: 1.130 local terms energy: -27.032591 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -4.242 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -2.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -52.146763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.146763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.146763 (E_RNA) where: Base-Base interactions energy: -22.766 where: short stacking energy: -22.766 Base-Backbone interact. energy: -0.014 local terms energy: -29.366207 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.591 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -3.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -49.091883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.091883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.091883 (E_RNA) where: Base-Base interactions energy: -15.023 where: short stacking energy: -13.355 Base-Backbone interact. energy: -0.771 local terms energy: -33.297729 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.216 flat angles P-C4'-P energy: -6.795 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: 8, replica: 1 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -46.393864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.393864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.393864 (E_RNA) where: Base-Base interactions energy: -16.370 where: short stacking energy: -14.555 Base-Backbone interact. energy: -0.954 local terms energy: -29.069457 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -1.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -39.771038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.771038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.771038 (E_RNA) where: Base-Base interactions energy: -13.138 where: short stacking energy: -13.138 Base-Backbone interact. energy: -0.018 local terms energy: -26.614595 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.600 flat angles P-C4'-P energy: -2.520 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: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -42.281008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.281008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.281008 (E_RNA) where: Base-Base interactions energy: -14.919 where: short stacking energy: -14.532 Base-Backbone interact. energy: -0.000 local terms energy: -27.362093 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -6.310 flat angles P-C4'-P energy: -3.454 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -65.449280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.449280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.449280 (E_RNA) where: Base-Base interactions energy: -27.103 where: short stacking energy: -27.103 Base-Backbone interact. energy: -0.097 local terms energy: -38.248813 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.700 flat angles P-C4'-P energy: -5.511 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: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -62.729612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.729612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.729612 (E_RNA) where: Base-Base interactions energy: -28.578 where: short stacking energy: -10.456 Base-Backbone interact. energy: -0.008 local terms energy: -34.143652 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -7.057 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: 3, replica: 3 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -60.179967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.179967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.179967 (E_RNA) where: Base-Base interactions energy: -26.130 where: short stacking energy: -19.234 Base-Backbone interact. energy: -0.596 local terms energy: -33.453805 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -5.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -53.910632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.910632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.910632 (E_RNA) where: Base-Base interactions energy: -21.277 where: short stacking energy: -21.277 Base-Backbone interact. energy: -0.000 local terms energy: -32.632796 where: bonds (distance) C4'-P energy: -7.260 bonds (distance) P-C4' energy: -7.653 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -5.027 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -52.165198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.165198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.165198 (E_RNA) where: Base-Base interactions energy: -19.005 where: short stacking energy: -19.005 Base-Backbone interact. energy: -0.026 local terms energy: -33.135042 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -3.544 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: 6, replica: 6 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -58.115621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.115621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.115621 (E_RNA) where: Base-Base interactions energy: -27.575 where: short stacking energy: -25.953 Base-Backbone interact. energy: -0.043 local terms energy: -30.498209 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -5.496 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: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -49.805925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.805925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.805925 (E_RNA) where: Base-Base interactions energy: -19.600 where: short stacking energy: -19.600 Base-Backbone interact. energy: -0.077 local terms energy: -30.128628 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.068 flat angles P-C4'-P energy: -2.120 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -56.431948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.431948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.431948 (E_RNA) where: Base-Base interactions energy: -27.326 where: short stacking energy: -20.294 Base-Backbone interact. energy: -0.010 local terms energy: -29.095630 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.544 flat angles P-C4'-P energy: -1.034 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: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -43.934373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.934373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.934373 (E_RNA) where: Base-Base interactions energy: -14.094 where: short stacking energy: -14.094 Base-Backbone interact. energy: -0.000 local terms energy: -29.839495 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -5.968 flat angles P-C4'-P energy: -6.147 tors. eta vs tors. theta energy: -2.904 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: 89 Temperature: 1.350000 Total energy: -38.237776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.237776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.237776 (E_RNA) where: Base-Base interactions energy: -11.826 where: short stacking energy: -11.526 Base-Backbone interact. energy: -0.242 local terms energy: -26.169696 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -2.662 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -69.831632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.831632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.831632 (E_RNA) where: Base-Base interactions energy: -36.156 where: short stacking energy: -28.559 Base-Backbone interact. energy: -0.100 local terms energy: -33.575097 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -6.699 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: 2, replica: 7 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -55.388532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.388532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.388532 (E_RNA) where: Base-Base interactions energy: -25.949 where: short stacking energy: -25.949 Base-Backbone interact. energy: -0.025 local terms energy: -29.413950 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -4.927 flat angles C4'-P-C4' energy: -6.111 flat angles P-C4'-P energy: -2.129 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -61.286814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.286814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.286814 (E_RNA) where: Base-Base interactions energy: -30.709 where: short stacking energy: -20.842 Base-Backbone interact. energy: -0.251 local terms energy: -30.326192 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -6.488 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: 4, replica: 2 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -57.657738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.657738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.657738 (E_RNA) where: Base-Base interactions energy: -26.239 where: short stacking energy: -17.354 Base-Backbone interact. energy: -0.000 local terms energy: -31.418851 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.141 flat angles P-C4'-P energy: -6.402 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -58.929456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.929456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.929456 (E_RNA) where: Base-Base interactions energy: -25.998 where: short stacking energy: -24.292 Base-Backbone interact. energy: -0.034 local terms energy: -32.897358 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.107 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -48.573529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.573529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.573529 (E_RNA) where: Base-Base interactions energy: -22.901 where: short stacking energy: -17.689 Base-Backbone interact. energy: 0.048 local terms energy: -25.720558 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.451 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -1.980 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: 1 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -44.503724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.503724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.503724 (E_RNA) where: Base-Base interactions energy: -17.733 where: short stacking energy: -14.215 Base-Backbone interact. energy: -0.049 local terms energy: -26.721978 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.768 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -4.941 tors. eta vs tors. theta energy: -1.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -51.199447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.199447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.199447 (E_RNA) where: Base-Base interactions energy: -21.276 where: short stacking energy: -21.276 Base-Backbone interact. energy: -0.196 local terms energy: -29.727005 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -40.009782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.009782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.009782 (E_RNA) where: Base-Base interactions energy: -18.040 where: short stacking energy: -12.765 Base-Backbone interact. energy: 2.409 local terms energy: -24.379040 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.139 flat angles P-C4'-P energy: -3.329 tors. eta vs tors. theta energy: -0.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -37.452587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.452587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.452587 (E_RNA) where: Base-Base interactions energy: -13.089 where: short stacking energy: -13.089 Base-Backbone interact. energy: -0.002 local terms energy: -24.361981 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -0.813 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: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -61.853648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.853648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.853648 (E_RNA) where: Base-Base interactions energy: -30.904 where: short stacking energy: -30.904 Base-Backbone interact. energy: -0.001 local terms energy: -30.948403 where: bonds (distance) C4'-P energy: -3.874 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -63.601074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.601074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.601074 (E_RNA) where: Base-Base interactions energy: -26.741 where: short stacking energy: -26.484 Base-Backbone interact. energy: -0.000 local terms energy: -36.860468 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -5.587 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: 7 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -59.214295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.214295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.214295 (E_RNA) where: Base-Base interactions energy: -25.807 where: short stacking energy: -25.807 Base-Backbone interact. energy: -0.000 local terms energy: -33.406954 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -5.536 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -7.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -54.351569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.351569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.351569 (E_RNA) where: Base-Base interactions energy: -22.685 where: short stacking energy: -22.685 Base-Backbone interact. energy: -0.334 local terms energy: -31.333427 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.530 flat angles P-C4'-P energy: -3.713 tors. eta vs tors. theta energy: -5.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -56.550684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.550684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.550684 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -22.422 Base-Backbone interact. energy: -0.076 local terms energy: -34.053378 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: -4.282 tors. eta vs tors. theta energy: -6.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -45.069251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.069251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.069251 (E_RNA) where: Base-Base interactions energy: -18.896 where: short stacking energy: -18.896 Base-Backbone interact. energy: -0.000 local terms energy: -26.173472 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.451 flat angles P-C4'-P energy: -3.186 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: 7, replica: 10 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -53.828176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.828176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.828176 (E_RNA) where: Base-Base interactions energy: -20.893 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.001 local terms energy: -32.934119 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.699 flat angles P-C4'-P energy: -4.496 tors. eta vs tors. theta energy: -5.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -45.844660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.844660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.844660 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -17.704 Base-Backbone interact. energy: -0.046 local terms energy: -28.094218 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.528 flat angles P-C4'-P energy: -1.252 tors. eta vs tors. theta energy: -3.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -40.221840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.221840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.221840 (E_RNA) where: Base-Base interactions energy: -17.856 where: short stacking energy: -14.525 Base-Backbone interact. energy: -0.138 local terms energy: -22.227872 where: bonds (distance) C4'-P energy: -5.709 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -6.148 flat angles P-C4'-P energy: -1.005 tors. eta vs tors. theta energy: -0.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -40.544889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.544889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.544889 (E_RNA) where: Base-Base interactions energy: -12.979 where: short stacking energy: -12.979 Base-Backbone interact. energy: -0.741 local terms energy: -26.825209 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -8.278 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: 0.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -54.368223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.368223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.368223 (E_RNA) where: Base-Base interactions energy: -22.695 where: short stacking energy: -22.695 Base-Backbone interact. energy: -0.002 local terms energy: -31.671307 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -3.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -55.542394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.542394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.542394 (E_RNA) where: Base-Base interactions energy: -24.002 where: short stacking energy: -18.673 Base-Backbone interact. energy: -0.108 local terms energy: -31.432417 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -50.970119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.970119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.970119 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -19.010 Base-Backbone interact. energy: -0.064 local terms energy: -31.896443 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -3.493 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: 4, replica: 7 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -51.024657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.024657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.024657 (E_RNA) where: Base-Base interactions energy: -20.087 where: short stacking energy: -20.087 Base-Backbone interact. energy: -0.129 local terms energy: -30.809170 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.822 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: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -56.128270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.128270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.128270 (E_RNA) where: Base-Base interactions energy: -27.858 where: short stacking energy: -21.875 Base-Backbone interact. energy: -1.185 local terms energy: -27.084893 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.402 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -4.988 tors. eta vs tors. theta energy: -3.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -49.691636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.691636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.691636 (E_RNA) where: Base-Base interactions energy: -16.440 where: short stacking energy: -16.440 Base-Backbone interact. energy: -0.007 local terms energy: -33.244973 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -5.078 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: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -46.058310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.058310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.058310 (E_RNA) where: Base-Base interactions energy: -15.551 where: short stacking energy: -15.551 Base-Backbone interact. energy: -0.000 local terms energy: -30.507177 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -4.705 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: 92 Temperature: 1.250000 Total energy: -49.061805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.061805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.061805 (E_RNA) where: Base-Base interactions energy: -15.827 where: short stacking energy: -15.233 Base-Backbone interact. energy: -0.059 local terms energy: -33.175902 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -6.814 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: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -43.399082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.399082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.399082 (E_RNA) where: Base-Base interactions energy: -14.791 where: short stacking energy: -14.791 Base-Backbone interact. energy: -0.110 local terms energy: -28.498136 where: bonds (distance) C4'-P energy: -6.333 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -3.670 tors. eta vs tors. theta energy: -4.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -41.592867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.592867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.592867 (E_RNA) where: Base-Base interactions energy: -14.779 where: short stacking energy: -14.779 Base-Backbone interact. energy: -0.939 local terms energy: -25.875583 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -5.508 flat angles C4'-P-C4' energy: -4.678 flat angles P-C4'-P energy: -4.764 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: 1, replica: 3 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -67.753931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.753931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.753931 (E_RNA) where: Base-Base interactions energy: -30.899 where: short stacking energy: -30.899 Base-Backbone interact. energy: -0.000 local terms energy: -36.854462 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -4.188 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: 2, replica: 2 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -65.891478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.891478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.891478 (E_RNA) where: Base-Base interactions energy: -29.400 where: short stacking energy: -29.400 Base-Backbone interact. energy: -0.000 local terms energy: -36.491159 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.366 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -58.281909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.281909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.281909 (E_RNA) where: Base-Base interactions energy: -27.786 where: short stacking energy: -20.635 Base-Backbone interact. energy: -0.065 local terms energy: -30.430749 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -53.762789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.762789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.762789 (E_RNA) where: Base-Base interactions energy: -20.935 where: short stacking energy: -20.935 Base-Backbone interact. energy: -0.170 local terms energy: -32.658101 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -52.877177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.877177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.877177 (E_RNA) where: Base-Base interactions energy: -18.393 where: short stacking energy: -18.393 Base-Backbone interact. energy: -0.000 local terms energy: -34.483749 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -45.837191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.837191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.837191 (E_RNA) where: Base-Base interactions energy: -20.381 where: short stacking energy: -20.381 Base-Backbone interact. energy: -0.006 local terms energy: -25.450094 where: bonds (distance) C4'-P energy: -5.965 bonds (distance) P-C4' energy: -2.701 flat angles C4'-P-C4' energy: -7.560 flat angles P-C4'-P energy: -3.889 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: 7, replica: 6 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -41.697298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.697298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.697298 (E_RNA) where: Base-Base interactions energy: -17.955 where: short stacking energy: -17.955 Base-Backbone interact. energy: -0.040 local terms energy: -23.702257 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -2.860 flat angles P-C4'-P energy: -6.014 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: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -52.526762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.526762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.526762 (E_RNA) where: Base-Base interactions energy: -23.829 where: short stacking energy: -23.829 Base-Backbone interact. energy: -0.003 local terms energy: -28.694254 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -1.299 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -45.008675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.008675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.008675 (E_RNA) where: Base-Base interactions energy: -16.965 where: short stacking energy: -16.965 Base-Backbone interact. energy: -0.055 local terms energy: -27.988460 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.411 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: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -38.531279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.531279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.531279 (E_RNA) where: Base-Base interactions energy: -13.132 where: short stacking energy: -13.132 Base-Backbone interact. energy: -0.014 local terms energy: -25.385145 where: bonds (distance) C4'-P energy: -5.244 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -1.992 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: 2 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -61.559170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.559170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.559170 (E_RNA) where: Base-Base interactions energy: -25.304 where: short stacking energy: -24.710 Base-Backbone interact. energy: -0.021 local terms energy: -36.234102 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -53.728325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.728325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.728325 (E_RNA) where: Base-Base interactions energy: -22.094 where: short stacking energy: -22.094 Base-Backbone interact. energy: -0.028 local terms energy: -31.606559 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -8.406 flat angles P-C4'-P energy: -4.631 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: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -60.195811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.195811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.195811 (E_RNA) where: Base-Base interactions energy: -26.205 where: short stacking energy: -26.205 Base-Backbone interact. energy: -0.000 local terms energy: -33.990667 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -8.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -60.489935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.489935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.489935 (E_RNA) where: Base-Base interactions energy: -28.690 where: short stacking energy: -28.653 Base-Backbone interact. energy: -0.006 local terms energy: -31.793190 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.012 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -50.953468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.953468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.953468 (E_RNA) where: Base-Base interactions energy: -23.494 where: short stacking energy: -23.494 Base-Backbone interact. energy: -0.001 local terms energy: -27.458507 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -3.238 tors. eta vs tors. theta energy: -4.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -55.893224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.893224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.893224 (E_RNA) where: Base-Base interactions energy: -27.213 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.058 local terms energy: -28.622356 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -6.833 flat angles C4'-P-C4' energy: -5.866 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -50.116122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.116122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.116122 (E_RNA) where: Base-Base interactions energy: -20.213 where: short stacking energy: -20.213 Base-Backbone interact. energy: -0.100 local terms energy: -29.803685 where: bonds (distance) C4'-P energy: -4.105 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -2.846 tors. eta vs tors. theta energy: -6.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -43.046883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.046883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.046883 (E_RNA) where: Base-Base interactions energy: -14.716 where: short stacking energy: -14.716 Base-Backbone interact. energy: -0.000 local terms energy: -28.331304 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -4.675 tors. eta vs tors. theta energy: -4.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -45.019978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.019978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.019978 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -10.953 Base-Backbone interact. energy: -0.099 local terms energy: -30.523628 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -4.513 tors. eta vs tors. theta energy: -2.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -42.191989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.191989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.191989 (E_RNA) where: Base-Base interactions energy: -12.262 where: short stacking energy: -12.262 Base-Backbone interact. energy: -0.093 local terms energy: -29.836975 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.157 flat angles P-C4'-P energy: -5.044 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -68.311129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.311129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.311129 (E_RNA) where: Base-Base interactions energy: -31.509 where: short stacking energy: -31.509 Base-Backbone interact. energy: -0.097 local terms energy: -36.705685 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -7.291 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: 1 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -61.215797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.215797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.215797 (E_RNA) where: Base-Base interactions energy: -31.685 where: short stacking energy: -22.944 Base-Backbone interact. energy: 1.073 local terms energy: -30.603899 where: bonds (distance) C4'-P energy: -6.122 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -79.904677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.904677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.904677 (E_RNA) where: Base-Base interactions energy: -45.819 where: short stacking energy: -28.926 Base-Backbone interact. energy: -0.001 local terms energy: -34.084208 where: bonds (distance) C4'-P energy: -4.824 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -7.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -59.222506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.222506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.222506 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.010 local terms energy: -31.608552 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.103 flat angles C4'-P-C4' energy: -6.568 flat angles P-C4'-P energy: -3.646 tors. eta vs tors. theta energy: -7.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -55.093038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.093038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.093038 (E_RNA) where: Base-Base interactions energy: -24.736 where: short stacking energy: -22.840 Base-Backbone interact. energy: -0.001 local terms energy: -30.355962 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -3.816 tors. eta vs tors. theta energy: -4.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -49.779174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.779174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.779174 (E_RNA) where: Base-Base interactions energy: -17.569 where: short stacking energy: -17.569 Base-Backbone interact. energy: -0.010 local terms energy: -32.200504 where: bonds (distance) C4'-P energy: -5.875 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.360 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -3.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -54.925964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.925964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.925964 (E_RNA) where: Base-Base interactions energy: -23.328 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.008 local terms energy: -31.589805 where: bonds (distance) C4'-P energy: -5.900 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.490 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: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -48.867219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.867219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.867219 (E_RNA) where: Base-Base interactions energy: -21.260 where: short stacking energy: -21.235 Base-Backbone interact. energy: -0.009 local terms energy: -27.597403 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.824 flat angles P-C4'-P energy: -3.479 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: 9, replica: 6 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -51.804439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.804439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.804439 (E_RNA) where: Base-Base interactions energy: -19.755 where: short stacking energy: -16.901 Base-Backbone interact. energy: -0.445 local terms energy: -31.604727 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.813 flat angles P-C4'-P energy: -1.412 tors. eta vs tors. theta energy: -7.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -46.272315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.272315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.272315 (E_RNA) where: Base-Base interactions energy: -14.109 where: short stacking energy: -14.109 Base-Backbone interact. energy: -0.001 local terms energy: -32.162789 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -5.734 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -59.771345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.771345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.771345 (E_RNA) where: Base-Base interactions energy: -24.175 where: short stacking energy: -24.175 Base-Backbone interact. energy: -0.000 local terms energy: -35.595988 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -72.960626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.960626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.960626 (E_RNA) where: Base-Base interactions energy: -34.433 where: short stacking energy: -34.433 Base-Backbone interact. energy: -0.000 local terms energy: -38.527718 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -4.829 tors. eta vs tors. theta energy: -10.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -77.540131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.540131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.540131 (E_RNA) where: Base-Base interactions energy: -41.364 where: short stacking energy: -29.886 Base-Backbone interact. energy: -0.015 local terms energy: -36.161258 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -5.677 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -61.564021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.564021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.564021 (E_RNA) where: Base-Base interactions energy: -28.723 where: short stacking energy: -28.723 Base-Backbone interact. energy: -0.002 local terms energy: -32.839114 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -7.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -57.421634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.421634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.421634 (E_RNA) where: Base-Base interactions energy: -26.401 where: short stacking energy: -26.394 Base-Backbone interact. energy: -0.003 local terms energy: -31.017956 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -5.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -58.781706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.781706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.781706 (E_RNA) where: Base-Base interactions energy: -24.998 where: short stacking energy: -21.475 Base-Backbone interact. energy: -0.146 local terms energy: -33.637809 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -4.353 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: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -53.611475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.611475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.611475 (E_RNA) where: Base-Base interactions energy: -17.959 where: short stacking energy: -17.959 Base-Backbone interact. energy: -0.100 local terms energy: -35.552212 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -5.665 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: 8, replica: 7 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -46.139917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.139917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.139917 (E_RNA) where: Base-Base interactions energy: -23.756 where: short stacking energy: -15.433 Base-Backbone interact. energy: 3.857 local terms energy: -26.240726 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: 0.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -39.592179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.592179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.592179 (E_RNA) where: Base-Base interactions energy: -15.075 where: short stacking energy: -15.075 Base-Backbone interact. energy: -0.051 local terms energy: -24.466593 where: bonds (distance) C4'-P energy: -6.880 bonds (distance) P-C4' energy: -5.364 flat angles C4'-P-C4' energy: -3.867 flat angles P-C4'-P energy: -4.203 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: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -53.951442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.951442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.951442 (E_RNA) where: Base-Base interactions energy: -24.886 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.000 local terms energy: -29.064956 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -0.219 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: 1, replica: 1 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -59.340120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.340120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.340120 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.002 local terms energy: -35.185139 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.689 flat angles P-C4'-P energy: -4.292 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: 2, replica: 3 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -78.506553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.506553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.506553 (E_RNA) where: Base-Base interactions energy: -44.889 where: short stacking energy: -30.127 Base-Backbone interact. energy: -0.002 local terms energy: -33.615299 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -6.815 flat angles P-C4'-P energy: -2.720 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: 3, replica: 2 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -56.616859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.616859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.616859 (E_RNA) where: Base-Base interactions energy: -24.127 where: short stacking energy: -24.127 Base-Backbone interact. energy: -0.019 local terms energy: -32.470543 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -3.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -59.536797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.536797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.536797 (E_RNA) where: Base-Base interactions energy: -25.662 where: short stacking energy: -25.662 Base-Backbone interact. energy: -0.005 local terms energy: -33.869676 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -5.910 flat angles P-C4'-P energy: -6.451 tors. eta vs tors. theta energy: -6.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -51.014323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.014323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.014323 (E_RNA) where: Base-Base interactions energy: -18.981 where: short stacking energy: -18.981 Base-Backbone interact. energy: -0.065 local terms energy: -31.968513 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.674 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -54.652797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.652797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.652797 (E_RNA) where: Base-Base interactions energy: -20.072 where: short stacking energy: -20.072 Base-Backbone interact. energy: -0.000 local terms energy: -34.580011 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -4.342 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -51.494684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.494684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.494684 (E_RNA) where: Base-Base interactions energy: -21.397 where: short stacking energy: -12.995 Base-Backbone interact. energy: -0.001 local terms energy: -30.096693 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -5.366 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: 8, replica: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -58.157586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.157586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.157586 (E_RNA) where: Base-Base interactions energy: -24.336 where: short stacking energy: -24.336 Base-Backbone interact. energy: -0.001 local terms energy: -33.820517 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.460 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -6.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -40.286833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.286833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.286833 (E_RNA) where: Base-Base interactions energy: -15.348 where: short stacking energy: -15.348 Base-Backbone interact. energy: -0.124 local terms energy: -24.815059 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -4.205 flat angles P-C4'-P energy: -2.736 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: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -41.549669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.549669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.549669 (E_RNA) where: Base-Base interactions energy: -13.505 where: short stacking energy: -10.208 Base-Backbone interact. energy: -0.107 local terms energy: -27.938247 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -76.880662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.880662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.880662 (E_RNA) where: Base-Base interactions energy: -45.178 where: short stacking energy: -21.758 Base-Backbone interact. energy: -0.199 local terms energy: -31.503563 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -4.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -63.959590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.959590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.959590 (E_RNA) where: Base-Base interactions energy: -28.538 where: short stacking energy: -28.538 Base-Backbone interact. energy: -0.000 local terms energy: -35.421431 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -4.593 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -5.110 tors. eta vs tors. theta energy: -10.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -60.332352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.332352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.332352 (E_RNA) where: Base-Base interactions energy: -28.561 where: short stacking energy: -17.578 Base-Backbone interact. energy: -0.034 local terms energy: -31.737923 where: bonds (distance) C4'-P energy: -6.310 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.188 flat angles P-C4'-P energy: -2.661 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: 4, replica: 2 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -54.285982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.285982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.285982 (E_RNA) where: Base-Base interactions energy: -23.290 where: short stacking energy: -23.290 Base-Backbone interact. energy: -0.006 local terms energy: -30.989017 where: bonds (distance) C4'-P energy: -4.074 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -5.771 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: 4 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -50.770692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.770692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.770692 (E_RNA) where: Base-Base interactions energy: -19.855 where: short stacking energy: -19.629 Base-Backbone interact. energy: -0.095 local terms energy: -30.820579 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -3.263 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: 6, replica: 9 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -59.471855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.471855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.471855 (E_RNA) where: Base-Base interactions energy: -25.994 where: short stacking energy: -25.994 Base-Backbone interact. energy: -0.000 local terms energy: -33.477936 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -6.835 flat angles C4'-P-C4' energy: -4.414 flat angles P-C4'-P energy: -6.029 tors. eta vs tors. theta energy: -7.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -49.215075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.215075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.215075 (E_RNA) where: Base-Base interactions energy: -19.590 where: short stacking energy: -19.395 Base-Backbone interact. energy: -0.041 local terms energy: -29.583262 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -3.052 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: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -44.589727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.589727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.589727 (E_RNA) where: Base-Base interactions energy: -21.128 where: short stacking energy: -21.128 Base-Backbone interact. energy: -0.039 local terms energy: -23.422709 where: bonds (distance) C4'-P energy: -1.209 bonds (distance) P-C4' energy: -5.348 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -4.787 tors. eta vs tors. theta energy: -6.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -38.729633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.729633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.729633 (E_RNA) where: Base-Base interactions energy: -14.160 where: short stacking energy: -14.160 Base-Backbone interact. energy: -0.019 local terms energy: -24.550499 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -4.365 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: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -43.198479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.198479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.198479 (E_RNA) where: Base-Base interactions energy: -15.692 where: short stacking energy: -15.692 Base-Backbone interact. energy: -0.053 local terms energy: -27.453303 where: bonds (distance) C4'-P energy: -8.428 bonds (distance) P-C4' energy: -6.435 flat angles C4'-P-C4' energy: -8.852 flat angles P-C4'-P energy: -1.450 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: 1, replica: 3 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -82.597470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.597470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.597470 (E_RNA) where: Base-Base interactions energy: -45.188 where: short stacking energy: -29.342 Base-Backbone interact. energy: -0.100 local terms energy: -37.310090 where: bonds (distance) C4'-P energy: -7.750 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.355 flat angles P-C4'-P energy: -4.101 tors. eta vs tors. theta energy: -8.035 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: 8 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -57.507936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.507936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.507936 (E_RNA) where: Base-Base interactions energy: -27.991 where: short stacking energy: -27.839 Base-Backbone interact. energy: -0.000 local terms energy: -29.516882 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -3.128 tors. eta vs tors. theta energy: -6.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -63.462152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.462152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.462152 (E_RNA) where: Base-Base interactions energy: -26.440 where: short stacking energy: -26.440 Base-Backbone interact. energy: -0.000 local terms energy: -37.021674 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -6.312 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: 4, replica: 4 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -52.416647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.416647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.416647 (E_RNA) where: Base-Base interactions energy: -22.767 where: short stacking energy: -22.088 Base-Backbone interact. energy: -0.004 local terms energy: -29.644846 where: bonds (distance) C4'-P energy: -5.666 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -3.836 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: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -49.901044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.901044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.901044 (E_RNA) where: Base-Base interactions energy: -21.495 where: short stacking energy: -19.165 Base-Backbone interact. energy: -0.000 local terms energy: -28.406115 where: bonds (distance) C4'-P energy: -5.258 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -4.427 flat angles P-C4'-P energy: -4.687 tors. eta vs tors. theta energy: -5.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -47.177748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.177748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.177748 (E_RNA) where: Base-Base interactions energy: -15.768 where: short stacking energy: -15.768 Base-Backbone interact. energy: -0.092 local terms energy: -31.318048 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -2.959 tors. eta vs tors. theta energy: -4.233 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: 9 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -42.922465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.922465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.922465 (E_RNA) where: Base-Base interactions energy: -14.594 where: short stacking energy: -14.594 Base-Backbone interact. energy: -0.006 local terms energy: -28.322378 where: bonds (distance) C4'-P energy: -5.894 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -4.895 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: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -42.763436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.763436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.763436 (E_RNA) where: Base-Base interactions energy: -14.370 where: short stacking energy: -14.370 Base-Backbone interact. energy: -0.864 local terms energy: -27.530203 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.283 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -1.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -50.333421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.333421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.333421 (E_RNA) where: Base-Base interactions energy: -25.505 where: short stacking energy: -20.304 Base-Backbone interact. energy: 0.040 local terms energy: -24.868306 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -3.949 flat angles C4'-P-C4' energy: -8.323 flat angles P-C4'-P energy: -0.017 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: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -45.405400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.405400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.405400 (E_RNA) where: Base-Base interactions energy: -17.224 where: short stacking energy: -10.380 Base-Backbone interact. energy: -0.033 local terms energy: -28.148735 where: bonds (distance) C4'-P energy: -4.801 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -1.363 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: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -61.193712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.193712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.193712 (E_RNA) where: Base-Base interactions energy: -29.699 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.069 local terms energy: -31.425395 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.817 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -5.807 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: 2, replica: 3 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -73.034175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.034175 (E_RNA) where: Base-Base interactions energy: -37.717 where: short stacking energy: -22.197 Base-Backbone interact. energy: -0.118 local terms energy: -35.199991 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -8.495 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -7.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -56.495209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.495209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.495209 (E_RNA) where: Base-Base interactions energy: -25.221 where: short stacking energy: -25.221 Base-Backbone interact. energy: -0.034 local terms energy: -31.239578 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.005 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -55.230097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.230097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.230097 (E_RNA) where: Base-Base interactions energy: -23.201 where: short stacking energy: -23.201 Base-Backbone interact. energy: -0.018 local terms energy: -32.011338 where: bonds (distance) C4'-P energy: -5.589 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -6.418 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: 5 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -52.258000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.258000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.258000 (E_RNA) where: Base-Base interactions energy: -22.426 where: short stacking energy: -18.118 Base-Backbone interact. energy: 0.160 local terms energy: -29.991889 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -6.209 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: 6, replica: 2 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -47.960422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.960422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.960422 (E_RNA) where: Base-Base interactions energy: -21.819 where: short stacking energy: -21.234 Base-Backbone interact. energy: -0.002 local terms energy: -26.139717 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -4.274 flat angles P-C4'-P energy: -4.571 tors. eta vs tors. theta energy: -0.973 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -48.464816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.464816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.464816 (E_RNA) where: Base-Base interactions energy: -18.554 where: short stacking energy: -18.554 Base-Backbone interact. energy: -0.003 local terms energy: -29.907822 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.706 flat angles C4'-P-C4' energy: -4.217 flat angles P-C4'-P energy: -6.714 tors. eta vs tors. theta energy: -5.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -47.011259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.011259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.011259 (E_RNA) where: Base-Base interactions energy: -16.829 where: short stacking energy: -16.829 Base-Backbone interact. energy: -0.009 local terms energy: -30.173480 where: bonds (distance) C4'-P energy: -4.956 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -4.697 flat angles P-C4'-P energy: -4.738 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: 9, replica: 6 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -39.588413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.588413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.588413 (E_RNA) where: Base-Base interactions energy: -13.817 where: short stacking energy: -11.227 Base-Backbone interact. energy: -0.073 local terms energy: -25.697815 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -5.244 flat angles C4'-P-C4' energy: -7.485 flat angles P-C4'-P energy: -5.538 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: 10 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -43.253302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.253302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.253302 (E_RNA) where: Base-Base interactions energy: -16.093 where: short stacking energy: -16.093 Base-Backbone interact. energy: 0.615 local terms energy: -27.774887 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -4.306 flat angles P-C4'-P energy: -4.534 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -70.474514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.474514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.474514 (E_RNA) where: Base-Base interactions energy: -37.485 where: short stacking energy: -24.802 Base-Backbone interact. energy: -0.033 local terms energy: -32.956379 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -6.703 flat angles P-C4'-P energy: -5.046 tors. eta vs tors. theta energy: -5.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -60.909689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.909689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.909689 (E_RNA) where: Base-Base interactions energy: -26.571 where: short stacking energy: -25.501 Base-Backbone interact. energy: -0.000 local terms energy: -34.338566 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -69.841006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.841006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.841006 (E_RNA) where: Base-Base interactions energy: -39.053 where: short stacking energy: -29.328 Base-Backbone interact. energy: -0.000 local terms energy: -30.787665 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -5.992 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -50.756376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.756376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.756376 (E_RNA) where: Base-Base interactions energy: -18.422 where: short stacking energy: -18.422 Base-Backbone interact. energy: -0.009 local terms energy: -32.325874 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -4.407 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: 1 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -56.938210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.938210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.938210 (E_RNA) where: Base-Base interactions energy: -23.011 where: short stacking energy: -23.011 Base-Backbone interact. energy: -0.009 local terms energy: -33.918401 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -50.132367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.132367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.132367 (E_RNA) where: Base-Base interactions energy: -18.447 where: short stacking energy: -18.447 Base-Backbone interact. energy: -0.004 local terms energy: -31.681433 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -5.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -41.095395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.095395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.095395 (E_RNA) where: Base-Base interactions energy: -17.312 where: short stacking energy: -17.312 Base-Backbone interact. energy: -0.068 local terms energy: -23.715601 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -4.290 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: 0.114 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: 101 Temperature: 1.250000 Total energy: -44.516503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.516503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.516503 (E_RNA) where: Base-Base interactions energy: -15.351 where: short stacking energy: -15.351 Base-Backbone interact. energy: -0.307 local terms energy: -28.858400 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.590 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: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -41.643797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.643797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.643797 (E_RNA) where: Base-Base interactions energy: -14.900 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.076 local terms energy: -26.668478 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -4.780 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: 10, replica: 10 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -39.419059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.419059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.419059 (E_RNA) where: Base-Base interactions energy: -13.252 where: short stacking energy: -13.252 Base-Backbone interact. energy: -0.009 local terms energy: -26.158219 where: bonds (distance) C4'-P energy: -4.267 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -0.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -66.048473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.048473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.048473 (E_RNA) where: Base-Base interactions energy: -28.682 where: short stacking energy: -28.682 Base-Backbone interact. energy: -0.047 local terms energy: -37.319446 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -7.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -71.294368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.294368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.294368 (E_RNA) where: Base-Base interactions energy: -37.004 where: short stacking energy: -22.965 Base-Backbone interact. energy: -0.082 local terms energy: -34.207825 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -4.674 flat angles P-C4'-P energy: -4.688 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: 3, replica: 3 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -65.013232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.013232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.013232 (E_RNA) where: Base-Base interactions energy: -35.431 where: short stacking energy: -23.377 Base-Backbone interact. energy: -0.001 local terms energy: -29.581197 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.296 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -3.549 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: 5 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -51.765439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.765439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.765439 (E_RNA) where: Base-Base interactions energy: -16.856 where: short stacking energy: -16.856 Base-Backbone interact. energy: -0.000 local terms energy: -34.908755 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -50.482605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.482605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.482605 (E_RNA) where: Base-Base interactions energy: -24.750 where: short stacking energy: -17.507 Base-Backbone interact. energy: -0.394 local terms energy: -25.337975 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -5.198 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -4.701 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: 1 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -62.904487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.904487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.904487 (E_RNA) where: Base-Base interactions energy: -23.619 where: short stacking energy: -23.619 Base-Backbone interact. energy: -0.000 local terms energy: -39.285364 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -4.803 tors. eta vs tors. theta energy: -9.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -46.420494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.420494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.420494 (E_RNA) where: Base-Base interactions energy: -12.058 where: short stacking energy: -12.058 Base-Backbone interact. energy: -0.003 local terms energy: -34.358621 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -4.764 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -49.898462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.898462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.898462 (E_RNA) where: Base-Base interactions energy: -26.626 where: short stacking energy: -16.759 Base-Backbone interact. energy: -0.060 local terms energy: -23.212682 where: bonds (distance) C4'-P energy: -2.599 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -2.798 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: 9, replica: 10 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -40.449231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.449231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.449231 (E_RNA) where: Base-Base interactions energy: -10.751 where: short stacking energy: -10.751 Base-Backbone interact. energy: -0.000 local terms energy: -29.698490 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -5.606 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: 10, replica: 9 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -45.477451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.477451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.477451 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -15.433 Base-Backbone interact. energy: -0.033 local terms energy: -26.280553 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -8.208 flat angles P-C4'-P energy: -3.515 tors. eta vs tors. theta energy: -0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -66.179771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.179771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.179771 (E_RNA) where: Base-Base interactions energy: -30.815 where: short stacking energy: -30.114 Base-Backbone interact. energy: -0.000 local terms energy: -35.364026 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -6.235 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: 8 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -70.689521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.689521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.689521 (E_RNA) where: Base-Base interactions energy: -37.873 where: short stacking energy: -13.688 Base-Backbone interact. energy: -0.156 local terms energy: -32.659862 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.425 flat angles P-C4'-P energy: -2.663 tors. eta vs tors. theta energy: -5.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -64.020294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.020294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.020294 (E_RNA) where: Base-Base interactions energy: -27.695 where: short stacking energy: -23.817 Base-Backbone interact. energy: -0.000 local terms energy: -36.325517 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -49.870061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.870061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.870061 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -17.273 Base-Backbone interact. energy: -0.087 local terms energy: -28.987373 where: bonds (distance) C4'-P energy: -7.577 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.847 tors. eta vs tors. theta energy: -2.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -48.884742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.884742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.884742 (E_RNA) where: Base-Base interactions energy: -20.719 where: short stacking energy: -20.719 Base-Backbone interact. energy: -0.023 local terms energy: -28.143329 where: bonds (distance) C4'-P energy: -6.548 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -5.959 flat angles P-C4'-P energy: -3.975 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: 1 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -55.600977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.600977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.600977 (E_RNA) where: Base-Base interactions energy: -19.361 where: short stacking energy: -16.843 Base-Backbone interact. energy: -0.025 local terms energy: -36.214801 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.549 flat angles P-C4'-P energy: -5.278 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: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -46.129471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.129471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.129471 (E_RNA) where: Base-Base interactions energy: -18.015 where: short stacking energy: -13.569 Base-Backbone interact. energy: -0.019 local terms energy: -28.094936 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -0.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -48.270747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.270747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.270747 (E_RNA) where: Base-Base interactions energy: -19.785 where: short stacking energy: -19.785 Base-Backbone interact. energy: -0.809 local terms energy: -27.675941 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -4.404 tors. eta vs tors. theta energy: -2.617 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: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -49.586729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.586729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.586729 (E_RNA) where: Base-Base interactions energy: -18.869 where: short stacking energy: -18.869 Base-Backbone interact. energy: -0.058 local terms energy: -30.659753 where: bonds (distance) C4'-P energy: -4.958 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -5.139 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: 9 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -39.268099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.268099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.268099 (E_RNA) where: Base-Base interactions energy: -16.503 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.049 local terms energy: -22.716696 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: 0.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -66.964332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.964332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.964332 (E_RNA) where: Base-Base interactions energy: -29.646 where: short stacking energy: -29.646 Base-Backbone interact. energy: -0.000 local terms energy: -37.318105 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.637 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: 8 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -75.467660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.467660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.467660 (E_RNA) where: Base-Base interactions energy: -45.564 where: short stacking energy: -20.271 Base-Backbone interact. energy: -0.188 local terms energy: -29.715873 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -66.478251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.478251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.478251 (E_RNA) where: Base-Base interactions energy: -38.975 where: short stacking energy: -19.323 Base-Backbone interact. energy: -0.109 local terms energy: -27.393708 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -4.634 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: 4, replica: 3 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -56.304661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.304661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.304661 (E_RNA) where: Base-Base interactions energy: -21.554 where: short stacking energy: -21.554 Base-Backbone interact. energy: -0.000 local terms energy: -34.750455 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -6.371 tors. eta vs tors. theta energy: -4.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -53.096013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.096013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.096013 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.562 Base-Backbone interact. energy: -0.000 local terms energy: -37.533494 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: -6.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -52.193429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193429 (E_RNA) where: Base-Base interactions energy: -22.431 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.070 local terms energy: -29.692123 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -5.682 flat angles P-C4'-P energy: -6.223 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: 7, replica: 10 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -52.397435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.397435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.397435 (E_RNA) where: Base-Base interactions energy: -20.853 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.003 local terms energy: -31.540959 where: bonds (distance) C4'-P energy: -6.120 bonds (distance) P-C4' energy: -3.870 flat angles C4'-P-C4' energy: -6.853 flat angles P-C4'-P energy: -5.481 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: 8, replica: 6 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -44.876640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.876640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.876640 (E_RNA) where: Base-Base interactions energy: -18.894 where: short stacking energy: -18.840 Base-Backbone interact. energy: -0.015 local terms energy: -25.968180 where: bonds (distance) C4'-P energy: -3.813 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -42.702215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.702215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.702215 (E_RNA) where: Base-Base interactions energy: -15.092 where: short stacking energy: -15.092 Base-Backbone interact. energy: -0.008 local terms energy: -27.602105 where: bonds (distance) C4'-P energy: -3.733 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.310 flat angles P-C4'-P energy: -4.955 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -41.349430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349430 (E_RNA) where: Base-Base interactions energy: -20.343 where: short stacking energy: -14.364 Base-Backbone interact. energy: -0.252 local terms energy: -20.753606 where: bonds (distance) C4'-P energy: -3.940 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -6.017 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -56.927550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.927550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.927550 (E_RNA) where: Base-Base interactions energy: -25.093 where: short stacking energy: -18.388 Base-Backbone interact. energy: -0.638 local terms energy: -31.196995 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -6.253 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -80.550979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.550979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.550979 (E_RNA) where: Base-Base interactions energy: -43.679 where: short stacking energy: -25.418 Base-Backbone interact. energy: -0.004 local terms energy: -36.867637 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -5.485 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: 8 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -69.030260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.030260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.030260 (E_RNA) where: Base-Base interactions energy: -43.630 where: short stacking energy: -15.738 Base-Backbone interact. energy: -0.016 local terms energy: -25.384767 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -2.503 tors. eta vs tors. theta energy: -1.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -60.359914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.359914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.359914 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.000 local terms energy: -32.343148 where: bonds (distance) C4'-P energy: -4.268 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.115 flat angles P-C4'-P energy: -5.445 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: 5, replica: 3 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -57.427264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.427264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.427264 (E_RNA) where: Base-Base interactions energy: -30.377 where: short stacking energy: -17.678 Base-Backbone interact. energy: -0.003 local terms energy: -27.047794 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -2.193 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -52.077722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.077722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.077722 (E_RNA) where: Base-Base interactions energy: -23.684 where: short stacking energy: -21.956 Base-Backbone interact. energy: -0.005 local terms energy: -28.387851 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -6.851 flat angles C4'-P-C4' energy: -1.893 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -7.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -53.599217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.599217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.599217 (E_RNA) where: Base-Base interactions energy: -27.361 where: short stacking energy: -11.976 Base-Backbone interact. energy: -0.066 local terms energy: -26.173103 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -3.167 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: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -52.235256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.235256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.235256 (E_RNA) where: Base-Base interactions energy: -19.199 where: short stacking energy: -19.087 Base-Backbone interact. energy: -0.008 local terms energy: -33.027908 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -7.023 flat angles P-C4'-P energy: -4.490 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: 9, replica: 6 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -39.834659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.834659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.834659 (E_RNA) where: Base-Base interactions energy: -13.271 where: short stacking energy: -13.271 Base-Backbone interact. energy: -0.170 local terms energy: -26.393654 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.169 flat angles P-C4'-P energy: -2.740 tors. eta vs tors. theta energy: -0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -43.076041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.076041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.076041 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -17.202 Base-Backbone interact. energy: -0.001 local terms energy: -24.757930 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -4.879 flat angles C4'-P-C4' energy: -7.997 flat angles P-C4'-P energy: -2.855 tors. eta vs tors. theta energy: -3.074 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: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -64.199813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.199813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.199813 (E_RNA) where: Base-Base interactions energy: -33.236 where: short stacking energy: -19.213 Base-Backbone interact. energy: -0.100 local terms energy: -30.863101 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.359 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -63.081501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.081501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.081501 (E_RNA) where: Base-Base interactions energy: -29.614 where: short stacking energy: -22.477 Base-Backbone interact. energy: -0.020 local terms energy: -33.447934 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -8.488 flat angles P-C4'-P energy: -5.832 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: 3, replica: 1 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -67.580537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.580537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.580537 (E_RNA) where: Base-Base interactions energy: -30.415 where: short stacking energy: -29.730 Base-Backbone interact. energy: -0.000 local terms energy: -37.165248 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.551 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -4.936 tors. eta vs tors. theta energy: -8.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -54.841701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.841701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.841701 (E_RNA) where: Base-Base interactions energy: -23.488 where: short stacking energy: -23.488 Base-Backbone interact. energy: -0.006 local terms energy: -31.348138 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.145 flat angles C4'-P-C4' energy: -7.010 flat angles P-C4'-P energy: -6.097 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: 5, replica: 10 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -66.189021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.189021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.189021 (E_RNA) where: Base-Base interactions energy: -32.811 where: short stacking energy: -20.929 Base-Backbone interact. energy: -0.071 local terms energy: -33.306229 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -4.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -68.600586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.600586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.600586 (E_RNA) where: Base-Base interactions energy: -35.400 where: short stacking energy: -22.761 Base-Backbone interact. energy: -0.003 local terms energy: -33.197076 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -4.626 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -9.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -52.412629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.412629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.412629 (E_RNA) where: Base-Base interactions energy: -22.512 where: short stacking energy: -18.431 Base-Backbone interact. energy: 0.265 local terms energy: -30.165971 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -3.160 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: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -47.331408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.331408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.331408 (E_RNA) where: Base-Base interactions energy: -17.592 where: short stacking energy: -17.592 Base-Backbone interact. energy: -0.001 local terms energy: -29.738202 where: bonds (distance) C4'-P energy: -8.250 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -2.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -46.042689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.042689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.042689 (E_RNA) where: Base-Base interactions energy: -19.377 where: short stacking energy: -19.377 Base-Backbone interact. energy: -0.069 local terms energy: -26.596824 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -2.481 tors. eta vs tors. theta energy: -4.872 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: 10, replica: 6 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -47.496579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.496579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.496579 (E_RNA) where: Base-Base interactions energy: -20.118 where: short stacking energy: -20.118 Base-Backbone interact. energy: 0.586 local terms energy: -27.965395 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -5.492 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.968 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -69.914210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.914210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.914210 (E_RNA) where: Base-Base interactions energy: -30.158 where: short stacking energy: -30.158 Base-Backbone interact. energy: -0.000 local terms energy: -39.756360 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.045 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -5.991 tors. eta vs tors. theta energy: -8.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -67.403762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.403762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.403762 (E_RNA) where: Base-Base interactions energy: -34.866 where: short stacking energy: -26.254 Base-Backbone interact. energy: -0.000 local terms energy: -32.537863 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.893 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -64.698437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.698437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.698437 (E_RNA) where: Base-Base interactions energy: -32.178 where: short stacking energy: -22.498 Base-Backbone interact. energy: -0.298 local terms energy: -32.222748 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -5.461 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -53.422106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.422106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.422106 (E_RNA) where: Base-Base interactions energy: -22.671 where: short stacking energy: -22.671 Base-Backbone interact. energy: -0.000 local terms energy: -30.750805 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.428 flat angles P-C4'-P energy: -3.997 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: 5, replica: 10 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -48.111407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.111407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.111407 (E_RNA) where: Base-Base interactions energy: -17.346 where: short stacking energy: -17.346 Base-Backbone interact. energy: -0.055 local terms energy: -30.710006 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -2.072 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: 6, replica: 9 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -56.681381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.681381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.681381 (E_RNA) where: Base-Base interactions energy: -22.988 where: short stacking energy: -21.844 Base-Backbone interact. energy: -0.014 local terms energy: -33.679244 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.040 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -49.306104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.306104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.306104 (E_RNA) where: Base-Base interactions energy: -19.111 where: short stacking energy: -19.111 Base-Backbone interact. energy: -0.002 local terms energy: -30.192743 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -4.374 flat angles P-C4'-P energy: -5.443 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: 8, replica: 2 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -53.837944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.837944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.837944 (E_RNA) where: Base-Base interactions energy: -19.798 where: short stacking energy: -19.798 Base-Backbone interact. energy: -0.001 local terms energy: -34.039534 where: bonds (distance) C4'-P energy: -6.772 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.676 flat angles P-C4'-P energy: -6.107 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: 9, replica: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -41.240695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.240695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.240695 (E_RNA) where: Base-Base interactions energy: -14.006 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.075 local terms energy: -27.159318 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -6.724 flat angles C4'-P-C4' energy: -4.539 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -44.458166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.458166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.458166 (E_RNA) where: Base-Base interactions energy: -16.176 where: short stacking energy: -15.169 Base-Backbone interact. energy: -0.032 local terms energy: -28.250460 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.446 flat angles P-C4'-P energy: -3.403 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: 1, replica: 1 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -60.453020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.453020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.453020 (E_RNA) where: Base-Base interactions energy: -25.763 where: short stacking energy: -22.149 Base-Backbone interact. energy: -0.936 local terms energy: -33.753633 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -4.427 tors. eta vs tors. theta energy: -4.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -55.417876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.417876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.417876 (E_RNA) where: Base-Base interactions energy: -22.737 where: short stacking energy: -21.973 Base-Backbone interact. energy: -0.000 local terms energy: -32.680159 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -6.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -56.386269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.386269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.386269 (E_RNA) where: Base-Base interactions energy: -25.155 where: short stacking energy: -25.155 Base-Backbone interact. energy: -0.002 local terms energy: -31.229087 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -1.729 tors. eta vs tors. theta energy: -7.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -57.247128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.247128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.247128 (E_RNA) where: Base-Base interactions energy: -25.226 where: short stacking energy: -19.459 Base-Backbone interact. energy: -0.011 local terms energy: -32.010860 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -6.061 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: 5, replica: 9 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -54.734798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.734798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.734798 (E_RNA) where: Base-Base interactions energy: -20.163 where: short stacking energy: -20.163 Base-Backbone interact. energy: -0.004 local terms energy: -34.568098 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.431 flat angles P-C4'-P energy: -5.834 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: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -51.466289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.466289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.466289 (E_RNA) where: Base-Base interactions energy: -23.474 where: short stacking energy: -23.474 Base-Backbone interact. energy: -0.001 local terms energy: -27.991744 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -5.318 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -4.111 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -48.457192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.457192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.457192 (E_RNA) where: Base-Base interactions energy: -20.530 where: short stacking energy: -20.530 Base-Backbone interact. energy: -0.028 local terms energy: -27.899267 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -4.249 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: 8, replica: 3 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -46.042426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.042426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.042426 (E_RNA) where: Base-Base interactions energy: -19.370 where: short stacking energy: -10.056 Base-Backbone interact. energy: -0.015 local terms energy: -26.657094 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -8.651 flat angles P-C4'-P energy: -3.657 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: 6 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -53.552207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.552207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.552207 (E_RNA) where: Base-Base interactions energy: -20.290 where: short stacking energy: -13.511 Base-Backbone interact. energy: -0.869 local terms energy: -32.393542 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.983 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -2.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -40.746369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.746369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.746369 (E_RNA) where: Base-Base interactions energy: -19.496 where: short stacking energy: -9.208 Base-Backbone interact. energy: -0.011 local terms energy: -21.240223 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -5.653 flat angles P-C4'-P energy: -3.122 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: 1, replica: 1 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -65.332007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.332007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.332007 (E_RNA) where: Base-Base interactions energy: -28.416 where: short stacking energy: -28.416 Base-Backbone interact. energy: -0.024 local terms energy: -36.892431 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -7.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -59.824183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.824183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.824183 (E_RNA) where: Base-Base interactions energy: -28.359 where: short stacking energy: -22.390 Base-Backbone interact. energy: -0.078 local terms energy: -31.387047 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -8.445 flat angles P-C4'-P energy: -4.274 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: 109 Temperature: 1.000000 Total energy: -51.828963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.828963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.828963 (E_RNA) where: Base-Base interactions energy: -24.225 where: short stacking energy: -23.968 Base-Backbone interact. energy: -0.008 local terms energy: -27.595858 where: bonds (distance) C4'-P energy: -2.707 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -4.354 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -51.591695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.591695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.591695 (E_RNA) where: Base-Base interactions energy: -21.014 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.000 local terms energy: -30.577338 where: bonds (distance) C4'-P energy: -4.513 bonds (distance) P-C4' energy: -7.181 flat angles C4'-P-C4' energy: -6.656 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -6.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -55.207535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.207535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.207535 (E_RNA) where: Base-Base interactions energy: -22.082 where: short stacking energy: -22.082 Base-Backbone interact. energy: -0.019 local terms energy: -33.107174 where: bonds (distance) C4'-P energy: -7.020 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.201 flat angles P-C4'-P energy: -4.514 tors. eta vs tors. theta energy: -5.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -46.139689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.139689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.139689 (E_RNA) where: Base-Base interactions energy: -20.979 where: short stacking energy: -16.740 Base-Backbone interact. energy: 0.165 local terms energy: -25.325981 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -5.242 flat angles P-C4'-P energy: -3.971 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -51.329711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.329711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.329711 (E_RNA) where: Base-Base interactions energy: -20.389 where: short stacking energy: -19.354 Base-Backbone interact. energy: -0.332 local terms energy: -30.608365 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -6.566 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -4.723 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -43.987136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.987136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.987136 (E_RNA) where: Base-Base interactions energy: -13.552 where: short stacking energy: -13.552 Base-Backbone interact. energy: -0.000 local terms energy: -30.434798 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.146 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -46.926550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.926550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.926550 (E_RNA) where: Base-Base interactions energy: -17.873 where: short stacking energy: -19.173 Base-Backbone interact. energy: -0.000 local terms energy: -29.053326 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -5.494 flat angles C4'-P-C4' energy: -4.160 flat angles P-C4'-P energy: -4.154 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -41.330780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.330780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.330780 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.202 local terms energy: -26.730994 where: bonds (distance) C4'-P energy: -7.671 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.199 flat angles P-C4'-P energy: -0.568 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: 1, replica: 1 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -61.630602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.630602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.630602 (E_RNA) where: Base-Base interactions energy: -26.268 where: short stacking energy: -26.268 Base-Backbone interact. energy: -0.001 local terms energy: -35.361044 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -3.726 tors. eta vs tors. theta energy: -5.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -58.336543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.336543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.336543 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -24.118 Base-Backbone interact. energy: -0.005 local terms energy: -34.213483 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.150 flat angles P-C4'-P energy: -5.082 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: 3, replica: 4 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -63.993045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.993045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.993045 (E_RNA) where: Base-Base interactions energy: -32.670 where: short stacking energy: -32.670 Base-Backbone interact. energy: -0.000 local terms energy: -31.322623 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -9.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -60.356877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.356877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.356877 (E_RNA) where: Base-Base interactions energy: -26.194 where: short stacking energy: -26.194 Base-Backbone interact. energy: -0.001 local terms energy: -34.161799 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.843 tors. eta vs tors. theta energy: -5.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -58.466679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.466679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.466679 (E_RNA) where: Base-Base interactions energy: -29.919 where: short stacking energy: -17.213 Base-Backbone interact. energy: -0.009 local terms energy: -28.539030 where: bonds (distance) C4'-P energy: -6.533 bonds (distance) P-C4' energy: -6.349 flat angles C4'-P-C4' energy: -5.556 flat angles P-C4'-P energy: -5.126 tors. eta vs tors. theta energy: -4.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -51.593272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.593272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.593272 (E_RNA) where: Base-Base interactions energy: -21.781 where: short stacking energy: -21.781 Base-Backbone interact. energy: -0.004 local terms energy: -29.808339 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -6.443 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -4.604 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: 7, replica: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -42.739891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.739891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.739891 (E_RNA) where: Base-Base interactions energy: -14.155 where: short stacking energy: -14.155 Base-Backbone interact. energy: -0.113 local terms energy: -28.472050 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -5.530 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -4.437 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: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -42.723859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.723859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.723859 (E_RNA) where: Base-Base interactions energy: -15.401 where: short stacking energy: -8.376 Base-Backbone interact. energy: -0.058 local terms energy: -27.264337 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -4.674 tors. eta vs tors. theta energy: 0.299 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: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -46.490778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.490778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.490778 (E_RNA) where: Base-Base interactions energy: -20.142 where: short stacking energy: -20.142 Base-Backbone interact. energy: -0.051 local terms energy: -26.297965 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: 1.380 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: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -39.400962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.400962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.400962 (E_RNA) where: Base-Base interactions energy: -13.841 where: short stacking energy: -13.841 Base-Backbone interact. energy: -0.084 local terms energy: -25.475952 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.380 flat angles P-C4'-P energy: -2.438 tors. eta vs tors. theta energy: -1.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -68.526108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.526108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.526108 (E_RNA) where: Base-Base interactions energy: -32.548 where: short stacking energy: -32.548 Base-Backbone interact. energy: -0.000 local terms energy: -35.978460 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -6.561 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -9.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -63.100686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.100686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.100686 (E_RNA) where: Base-Base interactions energy: -29.227 where: short stacking energy: -26.134 Base-Backbone interact. energy: -0.130 local terms energy: -33.743701 where: bonds (distance) C4'-P energy: -5.847 bonds (distance) P-C4' energy: -6.797 flat angles C4'-P-C4' energy: -9.067 flat angles P-C4'-P energy: -6.407 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: 3, replica: 5 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -61.987773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.987773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.987773 (E_RNA) where: Base-Base interactions energy: -28.192 where: short stacking energy: -28.192 Base-Backbone interact. energy: -0.002 local terms energy: -33.793730 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.465 flat angles P-C4'-P energy: -7.225 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: 2 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -61.387973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.387973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.387973 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -12.259 Base-Backbone interact. energy: -0.021 local terms energy: -30.772713 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -2.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -54.400416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.400416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.400416 (E_RNA) where: Base-Base interactions energy: -18.978 where: short stacking energy: -18.978 Base-Backbone interact. energy: -0.000 local terms energy: -35.422750 where: bonds (distance) C4'-P energy: -8.830 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -5.803 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: 3 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -54.998625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.998625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.998625 (E_RNA) where: Base-Base interactions energy: -21.337 where: short stacking energy: -21.337 Base-Backbone interact. energy: -0.007 local terms energy: -33.654236 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -6.912 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -43.577397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.577397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.577397 (E_RNA) where: Base-Base interactions energy: -17.420 where: short stacking energy: -6.839 Base-Backbone interact. energy: 0.776 local terms energy: -26.933906 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.995 flat angles P-C4'-P energy: -6.544 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: 8, replica: 7 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -44.130698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.130698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.130698 (E_RNA) where: Base-Base interactions energy: -22.193 where: short stacking energy: -13.741 Base-Backbone interact. energy: -0.306 local terms energy: -21.631715 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -4.115 flat angles P-C4'-P energy: -1.991 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: 111 Temperature: 1.300000 Total energy: -43.850923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.850923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.850923 (E_RNA) where: Base-Base interactions energy: -18.354 where: short stacking energy: -17.752 Base-Backbone interact. energy: -0.035 local terms energy: -25.461246 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.928 flat angles P-C4'-P energy: -5.604 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: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -41.372520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.372520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.372520 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.001 local terms energy: -25.546773 where: bonds (distance) C4'-P energy: -6.847 bonds (distance) P-C4' energy: -5.273 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -4.364 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: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -73.176864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.176864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.176864 (E_RNA) where: Base-Base interactions energy: -34.998 where: short stacking energy: -34.998 Base-Backbone interact. energy: -0.000 local terms energy: -38.178539 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -3.746 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: 2, replica: 4 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -83.248605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.248605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.248605 (E_RNA) where: Base-Base interactions energy: -50.113 where: short stacking energy: -30.953 Base-Backbone interact. energy: -0.051 local terms energy: -33.084403 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -6.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -62.001215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.001215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.001215 (E_RNA) where: Base-Base interactions energy: -29.728 where: short stacking energy: -29.728 Base-Backbone interact. energy: -0.000 local terms energy: -32.272870 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.933 flat angles P-C4'-P energy: -5.648 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: 4, replica: 5 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -61.259940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.259940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.259940 (E_RNA) where: Base-Base interactions energy: -26.393 where: short stacking energy: -26.393 Base-Backbone interact. energy: -0.000 local terms energy: -34.866225 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.445 flat angles P-C4'-P energy: -6.940 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: 5, replica: 3 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -48.534096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.534096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.534096 (E_RNA) where: Base-Base interactions energy: -19.728 where: short stacking energy: -19.392 Base-Backbone interact. energy: -0.002 local terms energy: -28.803747 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -5.096 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: 6, replica: 9 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -48.936973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.936973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.936973 (E_RNA) where: Base-Base interactions energy: -15.709 where: short stacking energy: -13.815 Base-Backbone interact. energy: -0.015 local terms energy: -33.213127 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.680 flat angles C4'-P-C4' energy: -4.886 flat angles P-C4'-P energy: -5.848 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -52.307029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.307029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.307029 (E_RNA) where: Base-Base interactions energy: -22.451 where: short stacking energy: -21.244 Base-Backbone interact. energy: -0.001 local terms energy: -29.855010 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -3.545 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -41.113749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.113749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.113749 (E_RNA) where: Base-Base interactions energy: -12.799 where: short stacking energy: -12.799 Base-Backbone interact. energy: -0.007 local terms energy: -28.308099 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -1.746 tors. eta vs tors. theta energy: -1.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -48.749955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.749955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.749955 (E_RNA) where: Base-Base interactions energy: -12.014 where: short stacking energy: -12.014 Base-Backbone interact. energy: -0.029 local terms energy: -36.707256 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -9.271 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -37.428366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.428366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.428366 (E_RNA) where: Base-Base interactions energy: -6.882 where: short stacking energy: -6.797 Base-Backbone interact. energy: -0.053 local terms energy: -30.492799 where: bonds (distance) C4'-P energy: -5.014 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.566 flat angles P-C4'-P energy: -6.219 tors. eta vs tors. theta energy: -1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -74.146917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.146917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.146917 (E_RNA) where: Base-Base interactions energy: -33.699 where: short stacking energy: -33.699 Base-Backbone interact. energy: -0.000 local terms energy: -40.447500 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -10.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -56.380850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.380850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.380850 (E_RNA) where: Base-Base interactions energy: -24.770 where: short stacking energy: -20.095 Base-Backbone interact. energy: -0.176 local terms energy: -31.434802 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -5.818 flat angles P-C4'-P energy: -5.849 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: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -74.445317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.445317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.445317 (E_RNA) where: Base-Base interactions energy: -37.797 where: short stacking energy: -29.064 Base-Backbone interact. energy: -0.023 local terms energy: -36.625220 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.301 flat angles C4'-P-C4' energy: -8.743 flat angles P-C4'-P energy: -3.312 tors. eta vs tors. theta energy: -8.936 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: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -54.167125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.167125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.167125 (E_RNA) where: Base-Base interactions energy: -24.173 where: short stacking energy: -24.173 Base-Backbone interact. energy: -0.007 local terms energy: -29.987685 where: bonds (distance) C4'-P energy: -3.628 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -53.949994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.949994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.949994 (E_RNA) where: Base-Base interactions energy: -24.610 where: short stacking energy: -20.810 Base-Backbone interact. energy: -0.044 local terms energy: -29.295542 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -6.175 flat angles P-C4'-P energy: -6.269 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: 6, replica: 7 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -52.506994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.506994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.506994 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.000 local terms energy: -31.392268 where: bonds (distance) C4'-P energy: -4.363 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.509 flat angles P-C4'-P energy: -4.835 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: 7, replica: 9 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -55.994585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.994585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.994585 (E_RNA) where: Base-Base interactions energy: -28.944 where: short stacking energy: -25.899 Base-Backbone interact. energy: -0.004 local terms energy: -27.046718 where: bonds (distance) C4'-P energy: -5.083 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.264 flat angles P-C4'-P energy: -1.816 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: 8, replica: 6 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -52.680316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.680316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.680316 (E_RNA) where: Base-Base interactions energy: -27.137 where: short stacking energy: -19.924 Base-Backbone interact. energy: -0.058 local terms energy: -25.484899 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -4.871 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -0.004 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: 8 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -44.085763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.085763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.085763 (E_RNA) where: Base-Base interactions energy: -16.491 where: short stacking energy: -16.491 Base-Backbone interact. energy: -0.007 local terms energy: -27.587489 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -6.330 tors. eta vs tors. theta energy: -1.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -55.472261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.472261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.472261 (E_RNA) where: Base-Base interactions energy: -25.449 where: short stacking energy: -13.557 Base-Backbone interact. energy: 0.096 local terms energy: -30.118960 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.061 flat angles P-C4'-P energy: -4.429 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: 1, replica: 2 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -70.059443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.059443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.059443 (E_RNA) where: Base-Base interactions energy: -39.326 where: short stacking energy: -18.896 Base-Backbone interact. energy: -0.171 local terms energy: -30.562735 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.463 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -2.402 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: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -72.461652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.461652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.461652 (E_RNA) where: Base-Base interactions energy: -31.218 where: short stacking energy: -31.218 Base-Backbone interact. energy: -0.000 local terms energy: -41.244089 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -11.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -62.354890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.354890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.354890 (E_RNA) where: Base-Base interactions energy: -29.007 where: short stacking energy: -25.813 Base-Backbone interact. energy: -0.000 local terms energy: -33.347309 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.470 flat angles P-C4'-P energy: -2.260 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: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -62.781321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.781321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.781321 (E_RNA) where: Base-Base interactions energy: -25.252 where: short stacking energy: -25.252 Base-Backbone interact. energy: -0.005 local terms energy: -37.524420 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -7.845 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: 7 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -64.834856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.834856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.834856 (E_RNA) where: Base-Base interactions energy: -36.208 where: short stacking energy: -21.213 Base-Backbone interact. energy: -0.000 local terms energy: -28.626391 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -4.378 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: 6, replica: 5 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -55.753206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.753206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.753206 (E_RNA) where: Base-Base interactions energy: -32.163 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.084 local terms energy: -23.506524 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -1.461 tors. eta vs tors. theta energy: 1.576 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: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -45.875014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.875014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.875014 (E_RNA) where: Base-Base interactions energy: -21.067 where: short stacking energy: -21.067 Base-Backbone interact. energy: -0.455 local terms energy: -24.353290 where: bonds (distance) C4'-P energy: -2.445 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: 0.633 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -49.442178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.442178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.442178 (E_RNA) where: Base-Base interactions energy: -26.196 where: short stacking energy: -16.963 Base-Backbone interact. energy: -0.033 local terms energy: -23.212934 where: bonds (distance) C4'-P energy: -4.826 bonds (distance) P-C4' energy: -6.221 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -1.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -39.645302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.645302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.645302 (E_RNA) where: Base-Base interactions energy: -9.144 where: short stacking energy: -9.144 Base-Backbone interact. energy: -0.000 local terms energy: -30.500730 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.518 flat angles P-C4'-P energy: -4.587 tors. eta vs tors. theta energy: -0.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -43.145698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.145698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.145698 (E_RNA) where: Base-Base interactions energy: -20.234 where: short stacking energy: -19.605 Base-Backbone interact. energy: -0.006 local terms energy: -22.905245 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.040 flat angles C4'-P-C4' energy: -4.252 flat angles P-C4'-P energy: -2.361 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: 1, replica: 2 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -75.200566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.200566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.200566 (E_RNA) where: Base-Base interactions energy: -42.302 where: short stacking energy: -20.124 Base-Backbone interact. energy: -0.121 local terms energy: -32.777550 where: bonds (distance) C4'-P energy: -8.859 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -4.541 flat angles P-C4'-P energy: -7.237 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: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -62.027514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.027514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.027514 (E_RNA) where: Base-Base interactions energy: -25.718 where: short stacking energy: -25.718 Base-Backbone interact. energy: -0.000 local terms energy: -36.309709 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -6.921 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: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -77.275151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.275151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.275151 (E_RNA) where: Base-Base interactions energy: -39.495 where: short stacking energy: -23.939 Base-Backbone interact. energy: -0.000 local terms energy: -37.780084 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -6.529 tors. eta vs tors. theta energy: -7.017 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: 4, replica: 7 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -59.521176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.521176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.521176 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -20.479 Base-Backbone interact. energy: -0.013 local terms energy: -31.683826 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -6.063 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: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -51.585603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.585603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.585603 (E_RNA) where: Base-Base interactions energy: -18.841 where: short stacking energy: -18.841 Base-Backbone interact. energy: -0.017 local terms energy: -32.728195 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -6.408 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: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -48.526538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.526538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.526538 (E_RNA) where: Base-Base interactions energy: -21.121 where: short stacking energy: -21.121 Base-Backbone interact. energy: -0.010 local terms energy: -27.395477 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -6.714 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -3.675 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: 7, replica: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -44.808761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.808761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.808761 (E_RNA) where: Base-Base interactions energy: -15.114 where: short stacking energy: -15.114 Base-Backbone interact. energy: -0.049 local terms energy: -29.645611 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.696 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -41.999385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.999385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.999385 (E_RNA) where: Base-Base interactions energy: -13.107 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.000 local terms energy: -28.892160 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -2.952 flat angles P-C4'-P energy: -3.329 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: 9, replica: 9 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -43.135904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.135904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.135904 (E_RNA) where: Base-Base interactions energy: -15.409 where: short stacking energy: -10.852 Base-Backbone interact. energy: -0.146 local terms energy: -27.581507 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.976 flat angles P-C4'-P energy: -5.991 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: 10, replica: 8 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -40.326068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.326068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.326068 (E_RNA) where: Base-Base interactions energy: -16.517 where: short stacking energy: -16.517 Base-Backbone interact. energy: -0.000 local terms energy: -23.808804 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -7.063 flat angles P-C4'-P energy: -1.680 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -71.204607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.204607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.204607 (E_RNA) where: Base-Base interactions energy: -30.154 where: short stacking energy: -30.154 Base-Backbone interact. energy: -0.000 local terms energy: -41.050311 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -7.170 tors. eta vs tors. theta energy: -8.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -61.719616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.719616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.719616 (E_RNA) where: Base-Base interactions energy: -29.787 where: short stacking energy: -18.323 Base-Backbone interact. energy: -0.011 local terms energy: -31.921258 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -5.862 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -71.538004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.538004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.538004 (E_RNA) where: Base-Base interactions energy: -31.175 where: short stacking energy: -31.175 Base-Backbone interact. energy: -0.000 local terms energy: -40.363038 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.750 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -11.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -52.683045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.683045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.683045 (E_RNA) where: Base-Base interactions energy: -17.320 where: short stacking energy: -16.958 Base-Backbone interact. energy: -0.001 local terms energy: -35.361539 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.523 flat angles P-C4'-P energy: -4.402 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: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -60.130364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.130364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.130364 (E_RNA) where: Base-Base interactions energy: -27.413 where: short stacking energy: -27.413 Base-Backbone interact. energy: -0.001 local terms energy: -32.717032 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.724 flat angles P-C4'-P energy: -6.875 tors. eta vs tors. theta energy: -5.332 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: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -51.018914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.018914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.018914 (E_RNA) where: Base-Base interactions energy: -21.520 where: short stacking energy: -21.256 Base-Backbone interact. energy: -0.076 local terms energy: -29.422684 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.138 flat angles P-C4'-P energy: -5.373 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: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -43.950810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.950810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.950810 (E_RNA) where: Base-Base interactions energy: -13.475 where: short stacking energy: -13.475 Base-Backbone interact. energy: -0.017 local terms energy: -30.458542 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.694 flat angles P-C4'-P energy: -6.361 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: 8, replica: 5 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -45.704775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.704775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.704775 (E_RNA) where: Base-Base interactions energy: -22.416 where: short stacking energy: -12.037 Base-Backbone interact. energy: -0.207 local terms energy: -23.081406 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: 0.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -47.996549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.996549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.996549 (E_RNA) where: Base-Base interactions energy: -15.573 where: short stacking energy: -14.590 Base-Backbone interact. energy: -0.000 local terms energy: -32.423875 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -5.190 tors. eta vs tors. theta energy: -3.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -42.930961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.930961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.930961 (E_RNA) where: Base-Base interactions energy: -20.533 where: short stacking energy: -15.658 Base-Backbone interact. energy: -0.173 local terms energy: -22.224634 where: bonds (distance) C4'-P energy: -5.742 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.007 flat angles P-C4'-P energy: -2.085 tors. eta vs tors. theta energy: -1.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -65.574784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.574784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.574784 (E_RNA) where: Base-Base interactions energy: -30.150 where: short stacking energy: -27.866 Base-Backbone interact. energy: -0.003 local terms energy: -35.422566 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -4.440 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: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -75.176106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.176106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.176106 (E_RNA) where: Base-Base interactions energy: -36.361 where: short stacking energy: -36.361 Base-Backbone interact. energy: -0.000 local terms energy: -38.814987 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.950 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -10.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -56.175733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.175733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.175733 (E_RNA) where: Base-Base interactions energy: -23.399 where: short stacking energy: -23.399 Base-Backbone interact. energy: -0.005 local terms energy: -32.771440 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -5.083 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: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -58.569027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.569027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.569027 (E_RNA) where: Base-Base interactions energy: -33.654 where: short stacking energy: -7.613 Base-Backbone interact. energy: -0.044 local terms energy: -24.870906 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -3.386 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: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -51.825765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.825765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.825765 (E_RNA) where: Base-Base interactions energy: -22.532 where: short stacking energy: -22.532 Base-Backbone interact. energy: -0.003 local terms energy: -29.290037 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -4.814 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: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -52.967594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.967594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.967594 (E_RNA) where: Base-Base interactions energy: -20.427 where: short stacking energy: -20.427 Base-Backbone interact. energy: -0.051 local terms energy: -32.490018 where: bonds (distance) C4'-P energy: -4.557 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -42.828178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.828178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.828178 (E_RNA) where: Base-Base interactions energy: -12.077 where: short stacking energy: -12.077 Base-Backbone interact. energy: -0.028 local terms energy: -30.722719 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -5.067 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: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -53.789992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.789992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.789992 (E_RNA) where: Base-Base interactions energy: -22.198 where: short stacking energy: -22.198 Base-Backbone interact. energy: -0.008 local terms energy: -31.584045 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -4.076 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -45.409735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.409735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.409735 (E_RNA) where: Base-Base interactions energy: -15.573 where: short stacking energy: -13.589 Base-Backbone interact. energy: -0.017 local terms energy: -29.819846 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.586 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -1.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -42.596800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.596800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.596800 (E_RNA) where: Base-Base interactions energy: -16.634 where: short stacking energy: -10.753 Base-Backbone interact. energy: 0.070 local terms energy: -26.033136 where: bonds (distance) C4'-P energy: -6.144 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -5.283 flat angles P-C4'-P energy: -5.323 tors. eta vs tors. theta energy: -1.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -67.877087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.877087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.877087 (E_RNA) where: Base-Base interactions energy: -30.091 where: short stacking energy: -30.091 Base-Backbone interact. energy: -0.000 local terms energy: -37.786192 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.736 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -10.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -64.781342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.781342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.781342 (E_RNA) where: Base-Base interactions energy: -26.549 where: short stacking energy: -26.549 Base-Backbone interact. energy: -0.000 local terms energy: -38.231637 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -7.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -59.581715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.581715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.581715 (E_RNA) where: Base-Base interactions energy: -27.961 where: short stacking energy: -27.961 Base-Backbone interact. energy: -0.000 local terms energy: -31.620588 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -6.241 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: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -56.999886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.999886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.999886 (E_RNA) where: Base-Base interactions energy: -21.582 where: short stacking energy: -21.582 Base-Backbone interact. energy: -0.001 local terms energy: -35.417117 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.550 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -5.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -54.868765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.868765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.868765 (E_RNA) where: Base-Base interactions energy: -26.718 where: short stacking energy: -25.024 Base-Backbone interact. energy: -0.000 local terms energy: -28.150184 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -4.406 flat angles P-C4'-P energy: -4.862 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: 6, replica: 6 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -45.708930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.708930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.708930 (E_RNA) where: Base-Base interactions energy: -18.375 where: short stacking energy: -14.690 Base-Backbone interact. energy: -0.511 local terms energy: -26.823209 where: bonds (distance) C4'-P energy: -6.848 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -6.558 flat angles P-C4'-P energy: -4.109 tors. eta vs tors. theta energy: -1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -51.046992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.046992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.046992 (E_RNA) where: Base-Base interactions energy: -22.308 where: short stacking energy: -22.210 Base-Backbone interact. energy: -0.000 local terms energy: -28.738435 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.309 flat angles C4'-P-C4' energy: -6.347 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -48.798757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.798757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.798757 (E_RNA) where: Base-Base interactions energy: -20.014 where: short stacking energy: -16.923 Base-Backbone interact. energy: -0.256 local terms energy: -28.529564 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -6.058 flat angles P-C4'-P energy: -1.383 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: 9 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -52.237847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.237847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.237847 (E_RNA) where: Base-Base interactions energy: -25.195 where: short stacking energy: -17.114 Base-Backbone interact. energy: -0.003 local terms energy: -27.040012 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.407 flat angles P-C4'-P energy: -6.267 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: 10, replica: 8 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -41.251126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.251126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.251126 (E_RNA) where: Base-Base interactions energy: -13.371 where: short stacking energy: -13.371 Base-Backbone interact. energy: -0.016 local terms energy: -27.864248 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.820 tors. eta vs tors. theta energy: -3.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -66.993377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.993377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.993377 (E_RNA) where: Base-Base interactions energy: -29.660 where: short stacking energy: -29.660 Base-Backbone interact. energy: -0.004 local terms energy: -37.329513 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: -8.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -68.921609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.921609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.921609 (E_RNA) where: Base-Base interactions energy: -28.557 where: short stacking energy: -28.557 Base-Backbone interact. energy: -0.000 local terms energy: -40.363953 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.518 flat angles P-C4'-P energy: -5.060 tors. eta vs tors. theta energy: -11.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -57.873304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.873304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.873304 (E_RNA) where: Base-Base interactions energy: -23.448 where: short stacking energy: -23.448 Base-Backbone interact. energy: -0.001 local terms energy: -34.424354 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.321 flat angles P-C4'-P energy: -6.691 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: 4, replica: 10 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -67.938508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.938508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.938508 (E_RNA) where: Base-Base interactions energy: -36.424 where: short stacking energy: -22.463 Base-Backbone interact. energy: -0.120 local terms energy: -31.394630 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -2.009 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: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -56.896476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.896476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.896476 (E_RNA) where: Base-Base interactions energy: -23.173 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.052 local terms energy: -33.671498 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -5.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -52.951961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.951961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.951961 (E_RNA) where: Base-Base interactions energy: -16.673 where: short stacking energy: -16.673 Base-Backbone interact. energy: -0.000 local terms energy: -36.279087 where: bonds (distance) C4'-P energy: -6.433 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -5.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -51.300608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.300608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.300608 (E_RNA) where: Base-Base interactions energy: -19.984 where: short stacking energy: -19.878 Base-Backbone interact. energy: -0.004 local terms energy: -31.312230 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -7.524 tors. eta vs tors. theta energy: -4.255 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: 9 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -52.110197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.110197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.110197 (E_RNA) where: Base-Base interactions energy: -22.446 where: short stacking energy: -17.351 Base-Backbone interact. energy: -0.000 local terms energy: -29.664461 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.467 flat angles P-C4'-P energy: -4.408 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: 9, replica: 4 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -44.485126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.485126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.485126 (E_RNA) where: Base-Base interactions energy: -15.961 where: short stacking energy: -15.961 Base-Backbone interact. energy: -0.008 local terms energy: -28.516034 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -3.560 tors. eta vs tors. theta energy: -0.489 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: 119 Temperature: 1.350000 Total energy: -49.196410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.196410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.196410 (E_RNA) where: Base-Base interactions energy: -18.197 where: short stacking energy: -18.197 Base-Backbone interact. energy: -0.099 local terms energy: -30.901092 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -6.752 flat angles C4'-P-C4' energy: -7.428 flat angles P-C4'-P energy: -5.037 tors. eta vs tors. theta energy: -3.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -67.026863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.026863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.026863 (E_RNA) where: Base-Base interactions energy: -26.648 where: short stacking energy: -26.648 Base-Backbone interact. energy: -0.000 local terms energy: -40.379115 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -10.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -56.378371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.378371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.378371 (E_RNA) where: Base-Base interactions energy: -21.650 where: short stacking energy: -21.012 Base-Backbone interact. energy: -0.110 local terms energy: -34.617749 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.888 flat angles P-C4'-P energy: -5.763 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: 3, replica: 10 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -60.290698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.290698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.290698 (E_RNA) where: Base-Base interactions energy: -25.050 where: short stacking energy: -25.050 Base-Backbone interact. energy: -0.032 local terms energy: -35.208078 where: bonds (distance) C4'-P energy: -6.471 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.484 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -6.965 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: 4, replica: 3 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -60.935674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.935674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.935674 (E_RNA) where: Base-Base interactions energy: -27.418 where: short stacking energy: -27.418 Base-Backbone interact. energy: -0.091 local terms energy: -33.426750 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -4.434 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -54.565928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.565928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.565928 (E_RNA) where: Base-Base interactions energy: -28.612 where: short stacking energy: -21.202 Base-Backbone interact. energy: 1.237 local terms energy: -27.190625 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.246 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -2.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -49.290855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.290855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.290855 (E_RNA) where: Base-Base interactions energy: -22.154 where: short stacking energy: -15.668 Base-Backbone interact. energy: -0.700 local terms energy: -26.437518 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -0.238 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -42.672161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.672161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.672161 (E_RNA) where: Base-Base interactions energy: -17.145 where: short stacking energy: -9.575 Base-Backbone interact. energy: -0.083 local terms energy: -25.444195 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -5.961 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: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -47.520120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.520120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.520120 (E_RNA) where: Base-Base interactions energy: -19.986 where: short stacking energy: -19.986 Base-Backbone interact. energy: 1.147 local terms energy: -28.681018 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -3.552 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: 9, replica: 8 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -41.509333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.509333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.509333 (E_RNA) where: Base-Base interactions energy: -15.135 where: short stacking energy: -7.351 Base-Backbone interact. energy: -0.102 local terms energy: -26.272283 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -5.925 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: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -39.877774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.877774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.877774 (E_RNA) where: Base-Base interactions energy: -16.777 where: short stacking energy: -16.777 Base-Backbone interact. energy: -0.038 local terms energy: -23.063397 where: bonds (distance) C4'-P energy: -0.264 bonds (distance) P-C4' energy: -6.815 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -6.546 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: 1, replica: 1 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -70.629558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.629558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.629558 (E_RNA) where: Base-Base interactions energy: -32.265 where: short stacking energy: -32.265 Base-Backbone interact. energy: -0.000 local terms energy: -38.364017 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -5.401 tors. eta vs tors. theta energy: -9.158 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: 2, replica: 10 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -63.479156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.479156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.479156 (E_RNA) where: Base-Base interactions energy: -26.110 where: short stacking energy: -25.762 Base-Backbone interact. energy: -0.003 local terms energy: -37.365790 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.924 tors. eta vs tors. theta energy: -7.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -58.212965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.212965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.212965 (E_RNA) where: Base-Base interactions energy: -30.071 where: short stacking energy: -10.487 Base-Backbone interact. energy: -0.111 local terms energy: -28.031163 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.578 flat angles P-C4'-P energy: -5.575 tors. eta vs tors. theta energy: 0.948 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: 5 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -52.708026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.708026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.708026 (E_RNA) where: Base-Base interactions energy: -21.205 where: short stacking energy: -21.205 Base-Backbone interact. energy: -0.043 local terms energy: -31.460356 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.447 flat angles P-C4'-P energy: -2.468 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: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -56.535633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.535633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.535633 (E_RNA) where: Base-Base interactions energy: -26.472 where: short stacking energy: -26.472 Base-Backbone interact. energy: -0.006 local terms energy: -30.056902 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.769 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -3.836 tors. eta vs tors. theta energy: -4.566 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: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -50.353554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.353554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.353554 (E_RNA) where: Base-Base interactions energy: -20.664 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.001 local terms energy: -29.688440 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.607 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: 7, replica: 2 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -49.212177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.212177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.212177 (E_RNA) where: Base-Base interactions energy: -19.748 where: short stacking energy: -19.748 Base-Backbone interact. energy: -0.091 local terms energy: -29.373179 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.567 flat angles C4'-P-C4' energy: -6.393 flat angles P-C4'-P energy: -3.725 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: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -46.911740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.911740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.911740 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.064 local terms energy: -25.605417 where: bonds (distance) C4'-P energy: -5.548 bonds (distance) P-C4' energy: -5.767 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -5.777 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: 9, replica: 8 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -44.638700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.638700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.638700 (E_RNA) where: Base-Base interactions energy: -14.615 where: short stacking energy: -14.615 Base-Backbone interact. energy: -0.000 local terms energy: -30.023465 where: bonds (distance) C4'-P energy: -4.632 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.564 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: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -43.220455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.220455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.220455 (E_RNA) where: Base-Base interactions energy: -15.734 where: short stacking energy: -10.393 Base-Backbone interact. energy: 0.232 local terms energy: -27.719081 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.193 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -2.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -64.946236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.946236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.946236 (E_RNA) where: Base-Base interactions energy: -34.763 where: short stacking energy: -16.662 Base-Backbone interact. energy: -0.080 local terms energy: -30.102582 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -3.693 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: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -71.470168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.470168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.470168 (E_RNA) where: Base-Base interactions energy: -33.541 where: short stacking energy: -29.611 Base-Backbone interact. energy: -0.000 local terms energy: -37.928796 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -6.003 tors. eta vs tors. theta energy: -7.660 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: 122 Temperature: 1.000000 Total energy: -57.123007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.123007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.123007 (E_RNA) where: Base-Base interactions energy: -24.839 where: short stacking energy: -24.839 Base-Backbone interact. energy: -0.105 local terms energy: -32.179128 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -51.240342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.240342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.240342 (E_RNA) where: Base-Base interactions energy: -23.407 where: short stacking energy: -22.997 Base-Backbone interact. energy: -0.892 local terms energy: -26.941281 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -5.038 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -1.920 tors. eta vs tors. theta energy: -6.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -49.815343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.815343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.815343 (E_RNA) where: Base-Base interactions energy: -18.417 where: short stacking energy: -18.417 Base-Backbone interact. energy: -0.019 local terms energy: -31.379881 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -5.779 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: 6, replica: 3 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -51.536973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.536973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.536973 (E_RNA) where: Base-Base interactions energy: -19.151 where: short stacking energy: -17.355 Base-Backbone interact. energy: -0.824 local terms energy: -31.561945 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.035 flat angles P-C4'-P energy: -3.761 tors. eta vs tors. theta energy: -5.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -48.537550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.537550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.537550 (E_RNA) where: Base-Base interactions energy: -19.037 where: short stacking energy: -19.037 Base-Backbone interact. energy: -0.002 local terms energy: -29.498602 where: bonds (distance) C4'-P energy: -4.069 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.952 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: 8, replica: 2 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -48.788707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.788707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.788707 (E_RNA) where: Base-Base interactions energy: -16.632 where: short stacking energy: -16.632 Base-Backbone interact. energy: -0.034 local terms energy: -32.122812 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -4.158 tors. eta vs tors. theta energy: -6.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -41.013288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.013288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.013288 (E_RNA) where: Base-Base interactions energy: -10.332 where: short stacking energy: -10.332 Base-Backbone interact. energy: 0.005 local terms energy: -30.686419 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.269 flat angles P-C4'-P energy: -5.320 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -45.266302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.266302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.266302 (E_RNA) where: Base-Base interactions energy: -16.061 where: short stacking energy: -16.061 Base-Backbone interact. energy: 1.428 local terms energy: -30.632836 where: bonds (distance) C4'-P energy: -5.443 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -6.704 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: 1, replica: 10 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -72.493666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.493666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.493666 (E_RNA) where: Base-Base interactions energy: -32.680 where: short stacking energy: -32.680 Base-Backbone interact. energy: -0.000 local terms energy: -39.813699 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -6.991 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -5.223 tors. eta vs tors. theta energy: -9.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -62.446345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.446345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.446345 (E_RNA) where: Base-Base interactions energy: -24.640 where: short stacking energy: -24.640 Base-Backbone interact. energy: -0.001 local terms energy: -37.805336 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -5.222 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: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -61.053644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.053644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.053644 (E_RNA) where: Base-Base interactions energy: -25.596 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.000 local terms energy: -35.457274 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -5.791 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -7.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -63.470850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.470850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.470850 (E_RNA) where: Base-Base interactions energy: -34.637 where: short stacking energy: -21.608 Base-Backbone interact. energy: -0.066 local terms energy: -28.767445 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -3.803 flat angles C4'-P-C4' energy: -6.975 flat angles P-C4'-P energy: -5.622 tors. eta vs tors. theta energy: -3.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -51.383530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.383530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.383530 (E_RNA) where: Base-Base interactions energy: -18.984 where: short stacking energy: -18.984 Base-Backbone interact. energy: -0.006 local terms energy: -32.393521 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.846 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: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -46.333775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.333775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.333775 (E_RNA) where: Base-Base interactions energy: -17.461 where: short stacking energy: -17.161 Base-Backbone interact. energy: -0.368 local terms energy: -28.504976 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -4.202 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -4.920 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: 7, replica: 3 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -43.698140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.698140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.698140 (E_RNA) where: Base-Base interactions energy: -18.374 where: short stacking energy: -18.374 Base-Backbone interact. energy: -0.034 local terms energy: -25.289330 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -6.950 flat angles C4'-P-C4' energy: -5.750 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -1.946 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: 4 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -44.228700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.228700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.228700 (E_RNA) where: Base-Base interactions energy: -16.261 where: short stacking energy: -16.261 Base-Backbone interact. energy: -0.085 local terms energy: -27.883097 where: bonds (distance) C4'-P energy: -5.328 bonds (distance) P-C4' energy: -5.479 flat angles C4'-P-C4' energy: -7.338 flat angles P-C4'-P energy: -6.603 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: 9, replica: 2 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -45.378439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.378439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.378439 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -12.679 Base-Backbone interact. energy: -0.026 local terms energy: -32.673923 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.841 flat angles P-C4'-P energy: -4.349 tors. eta vs tors. theta energy: -6.305 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: 123 Temperature: 1.350000 Total energy: -44.803074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.803074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.803074 (E_RNA) where: Base-Base interactions energy: -13.539 where: short stacking energy: -12.857 Base-Backbone interact. energy: -0.369 local terms energy: -30.895324 where: bonds (distance) C4'-P energy: -5.277 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.860 flat angles P-C4'-P energy: -6.425 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: 1, replica: 7 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -64.695254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.695254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.695254 (E_RNA) where: Base-Base interactions energy: -28.508 where: short stacking energy: -28.508 Base-Backbone interact. energy: -0.000 local terms energy: -36.187642 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -2.299 tors. eta vs tors. theta energy: -8.825 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: 2, replica: 10 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -72.791507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.791507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.791507 (E_RNA) where: Base-Base interactions energy: -34.423 where: short stacking energy: -34.423 Base-Backbone interact. energy: -0.000 local terms energy: -38.368590 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -6.647 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: 3, replica: 9 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -57.528614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.528614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.528614 (E_RNA) where: Base-Base interactions energy: -32.352 where: short stacking energy: -25.564 Base-Backbone interact. energy: 0.702 local terms energy: -25.878351 where: bonds (distance) C4'-P energy: -4.997 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -2.140 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: 4, replica: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -62.432200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.432200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.432200 (E_RNA) where: Base-Base interactions energy: -33.847 where: short stacking energy: -23.527 Base-Backbone interact. energy: -0.001 local terms energy: -28.584001 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -0.755 tors. eta vs tors. theta energy: -4.872 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: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -58.101402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.101402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.101402 (E_RNA) where: Base-Base interactions energy: -27.381 where: short stacking energy: -27.381 Base-Backbone interact. energy: -0.062 local terms energy: -30.658712 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.569 flat angles C4'-P-C4' energy: -5.168 flat angles P-C4'-P energy: -5.397 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: 6, replica: 5 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -50.922284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.922284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.922284 (E_RNA) where: Base-Base interactions energy: -18.525 where: short stacking energy: -17.590 Base-Backbone interact. energy: -0.063 local terms energy: -32.334722 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.044 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -3.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -45.879625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.879625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.879625 (E_RNA) where: Base-Base interactions energy: -19.871 where: short stacking energy: -7.599 Base-Backbone interact. energy: 0.073 local terms energy: -26.081624 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.318 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: 0.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -51.595297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.595297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.595297 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -16.982 Base-Backbone interact. energy: -0.040 local terms energy: -29.102358 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.078 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.054 tors. eta vs tors. theta energy: -2.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -48.654452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.654452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.654452 (E_RNA) where: Base-Base interactions energy: -21.822 where: short stacking energy: -21.822 Base-Backbone interact. energy: -0.000 local terms energy: -26.832639 where: bonds (distance) C4'-P energy: -4.207 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -8.841 flat angles P-C4'-P energy: -0.784 tors. eta vs tors. theta energy: -5.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -39.462743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.462743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.462743 (E_RNA) where: Base-Base interactions energy: -14.046 where: short stacking energy: -10.645 Base-Backbone interact. energy: 1.749 local terms energy: -27.166210 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -4.268 flat angles C4'-P-C4' energy: -8.240 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -2.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -57.297401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.297401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.297401 (E_RNA) where: Base-Base interactions energy: -23.619 where: short stacking energy: -23.619 Base-Backbone interact. energy: -0.101 local terms energy: -33.577227 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.890 flat angles P-C4'-P energy: -5.418 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -59.644308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.644308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.644308 (E_RNA) where: Base-Base interactions energy: -25.807 where: short stacking energy: -25.807 Base-Backbone interact. energy: -0.000 local terms energy: -33.836948 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -59.660777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.660777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.660777 (E_RNA) where: Base-Base interactions energy: -25.648 where: short stacking energy: -25.648 Base-Backbone interact. energy: -0.003 local terms energy: -34.009059 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.796 flat angles P-C4'-P energy: -2.296 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: 4, replica: 6 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -59.536611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.536611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.536611 (E_RNA) where: Base-Base interactions energy: -28.146 where: short stacking energy: -28.146 Base-Backbone interact. energy: -0.004 local terms energy: -31.386381 where: bonds (distance) C4'-P energy: -4.890 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -5.311 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: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -58.728139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.728139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.728139 (E_RNA) where: Base-Base interactions energy: -26.679 where: short stacking energy: -14.573 Base-Backbone interact. energy: -0.256 local terms energy: -31.793078 where: bonds (distance) C4'-P energy: -5.717 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.573 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -56.288400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.288400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.288400 (E_RNA) where: Base-Base interactions energy: -25.190 where: short stacking energy: -18.180 Base-Backbone interact. energy: -0.000 local terms energy: -31.098475 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -2.416 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -47.741341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.741341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.741341 (E_RNA) where: Base-Base interactions energy: -17.030 where: short stacking energy: -17.030 Base-Backbone interact. energy: -0.005 local terms energy: -30.705822 where: bonds (distance) C4'-P energy: -6.479 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -47.354322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.354322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.354322 (E_RNA) where: Base-Base interactions energy: -16.479 where: short stacking energy: -16.479 Base-Backbone interact. energy: -0.001 local terms energy: -30.873775 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -5.083 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -4.331 tors. eta vs tors. theta energy: -7.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -41.028725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.028725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.028725 (E_RNA) where: Base-Base interactions energy: -11.971 where: short stacking energy: -10.644 Base-Backbone interact. energy: -0.799 local terms energy: -28.258491 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -6.412 tors. eta vs tors. theta energy: 1.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -42.907688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.907688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.907688 (E_RNA) where: Base-Base interactions energy: -16.589 where: short stacking energy: -16.435 Base-Backbone interact. energy: -0.003 local terms energy: -26.315799 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -5.803 flat angles P-C4'-P energy: -3.245 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: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -56.199675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.199675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.199675 (E_RNA) where: Base-Base interactions energy: -24.810 where: short stacking energy: -24.810 Base-Backbone interact. energy: -0.000 local terms energy: -31.388971 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -7.561 flat angles P-C4'-P energy: -6.025 tors. eta vs tors. theta energy: -5.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -64.165503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.165503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.165503 (E_RNA) where: Base-Base interactions energy: -27.849 where: short stacking energy: -27.849 Base-Backbone interact. energy: -0.020 local terms energy: -36.295929 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -4.415 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: 3, replica: 6 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -61.434533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.434533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.434533 (E_RNA) where: Base-Base interactions energy: -29.692 where: short stacking energy: -14.853 Base-Backbone interact. energy: -0.376 local terms energy: -31.366670 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -6.036 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -55.679351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.679351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.679351 (E_RNA) where: Base-Base interactions energy: -21.242 where: short stacking energy: -21.242 Base-Backbone interact. energy: -0.000 local terms energy: -34.437460 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -2.344 tors. eta vs tors. theta energy: -8.992 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: 126 Temperature: 1.100000 Total energy: -48.397235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.397235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.397235 (E_RNA) where: Base-Base interactions energy: -20.796 where: short stacking energy: -20.796 Base-Backbone interact. energy: 0.153 local terms energy: -27.755039 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -5.990 flat angles C4'-P-C4' energy: -4.257 flat angles P-C4'-P energy: -7.230 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -48.842809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.842809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.842809 (E_RNA) where: Base-Base interactions energy: -24.389 where: short stacking energy: -24.389 Base-Backbone interact. energy: 0.820 local terms energy: -25.273530 where: bonds (distance) C4'-P energy: -0.903 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.809 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -44.973878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.973878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.973878 (E_RNA) where: Base-Base interactions energy: -16.198 where: short stacking energy: -16.198 Base-Backbone interact. energy: -0.083 local terms energy: -28.693138 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -4.191 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: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -48.152651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.152651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.152651 (E_RNA) where: Base-Base interactions energy: -17.228 where: short stacking energy: -17.228 Base-Backbone interact. energy: -0.001 local terms energy: -30.923656 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -4.581 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: 9, replica: 8 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -46.862003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.862003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.862003 (E_RNA) where: Base-Base interactions energy: -19.582 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.074 local terms energy: -27.205815 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.840 flat angles P-C4'-P energy: -3.361 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: 3 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -40.590583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.590583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.590583 (E_RNA) where: Base-Base interactions energy: -13.585 where: short stacking energy: -13.585 Base-Backbone interact. energy: -0.014 local terms energy: -26.992462 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -6.111 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: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -61.476260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.476260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.476260 (E_RNA) where: Base-Base interactions energy: -30.620 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.012 local terms energy: -30.843636 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.138 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: 2, replica: 6 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -63.639173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.639173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.639173 (E_RNA) where: Base-Base interactions energy: -30.801 where: short stacking energy: -20.246 Base-Backbone interact. energy: -0.508 local terms energy: -32.330156 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -3.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -58.270677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.270677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.270677 (E_RNA) where: Base-Base interactions energy: -27.119 where: short stacking energy: -27.119 Base-Backbone interact. energy: -0.008 local terms energy: -31.143858 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -5.827 flat angles P-C4'-P energy: -4.754 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -52.385347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.385347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.385347 (E_RNA) where: Base-Base interactions energy: -20.148 where: short stacking energy: -20.148 Base-Backbone interact. energy: -0.063 local terms energy: -32.174433 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.978 flat angles P-C4'-P energy: -4.867 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: 5, replica: 9 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -51.450356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.450356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.450356 (E_RNA) where: Base-Base interactions energy: -23.704 where: short stacking energy: -20.042 Base-Backbone interact. energy: -0.200 local terms energy: -27.546519 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -4.864 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -6.336 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: 6, replica: 2 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -49.673093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.673093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.673093 (E_RNA) where: Base-Base interactions energy: -20.001 where: short stacking energy: -20.001 Base-Backbone interact. energy: -0.002 local terms energy: -29.669275 where: bonds (distance) C4'-P energy: -6.536 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.934 flat angles P-C4'-P energy: -5.277 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -50.874863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.874863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.874863 (E_RNA) where: Base-Base interactions energy: -19.137 where: short stacking energy: -19.137 Base-Backbone interact. energy: -0.000 local terms energy: -31.737478 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -3.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -38.476475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.476475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.476475 (E_RNA) where: Base-Base interactions energy: -15.575 where: short stacking energy: -15.575 Base-Backbone interact. energy: -0.029 local terms energy: -22.872504 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -4.227 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -0.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -52.886733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.886733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.886733 (E_RNA) where: Base-Base interactions energy: -25.062 where: short stacking energy: -25.062 Base-Backbone interact. energy: -0.033 local terms energy: -27.791905 where: bonds (distance) C4'-P energy: -7.468 bonds (distance) P-C4' energy: -0.347 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -5.806 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: 3 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -46.157212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.157212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.157212 (E_RNA) where: Base-Base interactions energy: -18.737 where: short stacking energy: -13.372 Base-Backbone interact. energy: -0.035 local terms energy: -27.385202 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -6.426 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -69.085854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.085854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.085854 (E_RNA) where: Base-Base interactions energy: -35.594 where: short stacking energy: -35.526 Base-Backbone interact. energy: -0.001 local terms energy: -33.490519 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.915 flat angles P-C4'-P energy: -4.542 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: 10 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -61.240528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.240528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.240528 (E_RNA) where: Base-Base interactions energy: -25.404 where: short stacking energy: -25.404 Base-Backbone interact. energy: 0.161 local terms energy: -35.997770 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -6.180 tors. eta vs tors. theta energy: -5.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -52.743260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.743260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.743260 (E_RNA) where: Base-Base interactions energy: -22.947 where: short stacking energy: -22.947 Base-Backbone interact. energy: -0.002 local terms energy: -29.794739 where: bonds (distance) C4'-P energy: -5.472 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -3.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -58.826361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.826361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.826361 (E_RNA) where: Base-Base interactions energy: -22.389 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.013 local terms energy: -36.424106 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -4.389 tors. eta vs tors. theta energy: -7.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -56.948942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.948942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.948942 (E_RNA) where: Base-Base interactions energy: -21.024 where: short stacking energy: -21.024 Base-Backbone interact. energy: -0.000 local terms energy: -35.925182 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -6.877 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -5.576 tors. eta vs tors. theta energy: -8.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -51.412730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.412730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.412730 (E_RNA) where: Base-Base interactions energy: -19.583 where: short stacking energy: -19.583 Base-Backbone interact. energy: -0.000 local terms energy: -31.829224 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.865 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -5.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -49.994368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.994368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.994368 (E_RNA) where: Base-Base interactions energy: -17.808 where: short stacking energy: -17.808 Base-Backbone interact. energy: -0.090 local terms energy: -32.096054 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -5.741 flat angles P-C4'-P energy: -4.547 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: 8, replica: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -44.062635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.062635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.062635 (E_RNA) where: Base-Base interactions energy: -12.281 where: short stacking energy: -12.281 Base-Backbone interact. energy: -0.070 local terms energy: -31.711264 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -4.831 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -49.381318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.381318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.381318 (E_RNA) where: Base-Base interactions energy: -17.331 where: short stacking energy: -15.047 Base-Backbone interact. energy: -0.087 local terms energy: -31.962378 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -6.622 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -7.046 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: 10, replica: 3 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -47.583911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.583911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.583911 (E_RNA) where: Base-Base interactions energy: -16.597 where: short stacking energy: -16.033 Base-Backbone interact. energy: -0.098 local terms energy: -30.888318 where: bonds (distance) C4'-P energy: -4.666 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -5.338 flat angles P-C4'-P energy: -5.594 tors. eta vs tors. theta energy: -6.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -63.605339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.605339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.605339 (E_RNA) where: Base-Base interactions energy: -25.089 where: short stacking energy: -25.089 Base-Backbone interact. energy: -0.000 local terms energy: -38.516675 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.771 flat angles P-C4'-P energy: -6.570 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: 2, replica: 1 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -64.423895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.423895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.423895 (E_RNA) where: Base-Base interactions energy: -28.441 where: short stacking energy: -28.441 Base-Backbone interact. energy: -0.001 local terms energy: -35.981588 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.732 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: 3, replica: 10 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -52.367746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367746 (E_RNA) where: Base-Base interactions energy: -17.732 where: short stacking energy: -17.732 Base-Backbone interact. energy: -0.002 local terms energy: -34.633200 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -6.823 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: 7 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -52.933487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.933487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.933487 (E_RNA) where: Base-Base interactions energy: -20.700 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.087 local terms energy: -32.147280 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.587 flat angles P-C4'-P energy: -3.457 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: 5, replica: 2 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -46.030498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.030498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.030498 (E_RNA) where: Base-Base interactions energy: -20.080 where: short stacking energy: -20.080 Base-Backbone interact. energy: -0.033 local terms energy: -25.917504 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.040 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -2.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -52.126129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.126129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.126129 (E_RNA) where: Base-Base interactions energy: -18.273 where: short stacking energy: -18.273 Base-Backbone interact. energy: -0.017 local terms energy: -33.835696 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -4.197 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: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -54.861699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.861699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.861699 (E_RNA) where: Base-Base interactions energy: -30.042 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.194 local terms energy: -24.625126 where: bonds (distance) C4'-P energy: -4.887 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -3.050 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -1.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -41.467237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.467237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.467237 (E_RNA) where: Base-Base interactions energy: -14.599 where: short stacking energy: -14.599 Base-Backbone interact. energy: -0.055 local terms energy: -26.813400 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -7.491 flat angles C4'-P-C4' energy: -7.858 flat angles P-C4'-P energy: -3.946 tors. eta vs tors. theta energy: 0.389 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: 4 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -46.297230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.297230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.297230 (E_RNA) where: Base-Base interactions energy: -16.525 where: short stacking energy: -16.525 Base-Backbone interact. energy: -0.002 local terms energy: -29.770495 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.521 flat angles P-C4'-P energy: -4.051 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: 10, replica: 3 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -41.244569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.244569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.244569 (E_RNA) where: Base-Base interactions energy: -10.672 where: short stacking energy: -10.672 Base-Backbone interact. energy: -0.004 local terms energy: -30.568699 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -3.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -65.842699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.842699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.842699 (E_RNA) where: Base-Base interactions energy: -28.092 where: short stacking energy: -28.092 Base-Backbone interact. energy: -0.000 local terms energy: -37.751169 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -6.705 flat angles P-C4'-P energy: -3.199 tors. eta vs tors. theta energy: -9.989 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: 2, replica: 1 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -61.882968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.882968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.882968 (E_RNA) where: Base-Base interactions energy: -25.257 where: short stacking energy: -24.347 Base-Backbone interact. energy: -0.012 local terms energy: -36.614270 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.741 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -61.684397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.684397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.684397 (E_RNA) where: Base-Base interactions energy: -26.671 where: short stacking energy: -24.629 Base-Backbone interact. energy: -0.039 local terms energy: -34.974768 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.497 flat angles P-C4'-P energy: -4.825 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: 4, replica: 7 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -53.276178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.276178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.276178 (E_RNA) where: Base-Base interactions energy: -16.525 where: short stacking energy: -15.747 Base-Backbone interact. energy: -0.809 local terms energy: -35.941984 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -54.806342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.806342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.806342 (E_RNA) where: Base-Base interactions energy: -22.544 where: short stacking energy: -22.544 Base-Backbone interact. energy: -0.033 local terms energy: -32.229329 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.775 flat angles P-C4'-P energy: -3.726 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: 6, replica: 2 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -45.066579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.066579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.066579 (E_RNA) where: Base-Base interactions energy: -19.345 where: short stacking energy: -19.345 Base-Backbone interact. energy: -0.101 local terms energy: -25.620544 where: bonds (distance) C4'-P energy: -4.790 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.008 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -46.797340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.797340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.797340 (E_RNA) where: Base-Base interactions energy: -15.691 where: short stacking energy: -14.171 Base-Backbone interact. energy: -0.033 local terms energy: -31.073328 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.140 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -1.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -39.368905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.368905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.368905 (E_RNA) where: Base-Base interactions energy: -12.587 where: short stacking energy: -12.587 Base-Backbone interact. energy: -0.259 local terms energy: -26.523114 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -2.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -43.679932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.679932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.679932 (E_RNA) where: Base-Base interactions energy: -13.426 where: short stacking energy: -6.005 Base-Backbone interact. energy: -0.110 local terms energy: -30.144282 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.977 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -2.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -41.437275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.437275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.437275 (E_RNA) where: Base-Base interactions energy: -12.479 where: short stacking energy: -9.590 Base-Backbone interact. energy: 1.920 local terms energy: -30.878501 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.987 flat angles P-C4'-P energy: -5.856 tors. eta vs tors. theta energy: -2.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -64.247072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.247072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.247072 (E_RNA) where: Base-Base interactions energy: -28.175 where: short stacking energy: -28.175 Base-Backbone interact. energy: -0.035 local terms energy: -36.036735 where: bonds (distance) C4'-P energy: -6.877 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.634 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -9.190 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: 10 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -73.084058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.084058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.084058 (E_RNA) where: Base-Base interactions energy: -37.875 where: short stacking energy: -30.156 Base-Backbone interact. energy: -0.004 local terms energy: -35.205431 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -3.089 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: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -57.847521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.847521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.847521 (E_RNA) where: Base-Base interactions energy: -24.372 where: short stacking energy: -20.434 Base-Backbone interact. energy: -0.134 local terms energy: -33.341850 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -64.907009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.907009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.907009 (E_RNA) where: Base-Base interactions energy: -26.336 where: short stacking energy: -26.336 Base-Backbone interact. energy: -0.000 local terms energy: -38.570526 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -58.696408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.696408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.696408 (E_RNA) where: Base-Base interactions energy: -27.217 where: short stacking energy: -18.281 Base-Backbone interact. energy: -0.025 local terms energy: -31.453692 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -3.764 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: 6, replica: 5 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -54.050558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.050558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.050558 (E_RNA) where: Base-Base interactions energy: -20.681 where: short stacking energy: -18.002 Base-Backbone interact. energy: -0.014 local terms energy: -33.355938 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.787 flat angles P-C4'-P energy: -6.062 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -55.641559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.641559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.641559 (E_RNA) where: Base-Base interactions energy: -26.192 where: short stacking energy: -26.192 Base-Backbone interact. energy: -0.000 local terms energy: -29.449786 where: bonds (distance) C4'-P energy: -3.531 bonds (distance) P-C4' energy: -5.725 flat angles C4'-P-C4' energy: -5.588 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -9.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -49.966057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.966057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.966057 (E_RNA) where: Base-Base interactions energy: -19.377 where: short stacking energy: -19.377 Base-Backbone interact. energy: -0.092 local terms energy: -30.497191 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.790 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -41.349954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349954 (E_RNA) where: Base-Base interactions energy: -16.710 where: short stacking energy: -8.742 Base-Backbone interact. energy: -0.316 local terms energy: -24.324433 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.127 flat angles P-C4'-P energy: -7.023 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: 10, replica: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -36.762070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.762070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.762070 (E_RNA) where: Base-Base interactions energy: -14.516 where: short stacking energy: -14.516 Base-Backbone interact. energy: -0.086 local terms energy: -22.160734 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -4.007 flat angles C4'-P-C4' energy: -8.248 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -0.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -60.010824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.010824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.010824 (E_RNA) where: Base-Base interactions energy: -27.338 where: short stacking energy: -22.789 Base-Backbone interact. energy: -0.002 local terms energy: -32.671111 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -4.619 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: 2, replica: 6 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -57.328089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.328089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.328089 (E_RNA) where: Base-Base interactions energy: -23.995 where: short stacking energy: -23.995 Base-Backbone interact. energy: -0.001 local terms energy: -33.332110 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -6.488 flat angles P-C4'-P energy: -5.014 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: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -66.741802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.741802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.741802 (E_RNA) where: Base-Base interactions energy: -30.100 where: short stacking energy: -25.831 Base-Backbone interact. energy: -2.680 local terms energy: -33.962344 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.585 flat angles P-C4'-P energy: -6.356 tors. eta vs tors. theta energy: -5.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -49.343624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.343624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.343624 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.030 local terms energy: -29.439264 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.116 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: 5, replica: 5 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -50.232664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.232664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.232664 (E_RNA) where: Base-Base interactions energy: -18.667 where: short stacking energy: -18.667 Base-Backbone interact. energy: -0.000 local terms energy: -31.565823 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -50.412011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.412011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.412011 (E_RNA) where: Base-Base interactions energy: -23.287 where: short stacking energy: -23.287 Base-Backbone interact. energy: -0.021 local terms energy: -27.104609 where: bonds (distance) C4'-P energy: -3.676 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.309 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -3.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -52.902763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.902763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.902763 (E_RNA) where: Base-Base interactions energy: -19.225 where: short stacking energy: -18.432 Base-Backbone interact. energy: -2.170 local terms energy: -31.507616 where: bonds (distance) C4'-P energy: -5.776 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -6.586 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: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -53.921562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.921562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.921562 (E_RNA) where: Base-Base interactions energy: -23.287 where: short stacking energy: -13.373 Base-Backbone interact. energy: -0.010 local terms energy: -30.625122 where: bonds (distance) C4'-P energy: -7.572 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.189 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -1.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -48.854152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.854152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.854152 (E_RNA) where: Base-Base interactions energy: -23.586 where: short stacking energy: -23.586 Base-Backbone interact. energy: -0.003 local terms energy: -25.265095 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -5.363 flat angles C4'-P-C4' energy: -4.443 flat angles P-C4'-P energy: -4.021 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: 10, replica: 9 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -42.245038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.245038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.245038 (E_RNA) where: Base-Base interactions energy: -20.886 where: short stacking energy: -9.487 Base-Backbone interact. energy: 0.282 local terms energy: -21.640824 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -4.283 flat angles P-C4'-P energy: -4.610 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: 1, replica: 10 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -80.081273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.081273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.081273 (E_RNA) where: Base-Base interactions energy: -41.360 where: short stacking energy: -27.651 Base-Backbone interact. energy: -0.000 local terms energy: -38.720647 where: bonds (distance) C4'-P energy: -7.150 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -11.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -60.567644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.567644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.567644 (E_RNA) where: Base-Base interactions energy: -28.003 where: short stacking energy: -26.290 Base-Backbone interact. energy: -0.028 local terms energy: -32.536583 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -6.933 tors. eta vs tors. theta energy: -5.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -53.219685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.219685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.219685 (E_RNA) where: Base-Base interactions energy: -19.284 where: short stacking energy: -18.157 Base-Backbone interact. energy: -0.125 local terms energy: -33.811268 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.781 flat angles P-C4'-P energy: -6.338 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: 8 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -47.287863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.287863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.287863 (E_RNA) where: Base-Base interactions energy: -16.553 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.043 local terms energy: -30.691501 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -48.561522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.561522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.561522 (E_RNA) where: Base-Base interactions energy: -21.528 where: short stacking energy: -21.528 Base-Backbone interact. energy: -0.104 local terms energy: -26.929461 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -47.400168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.400168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.400168 (E_RNA) where: Base-Base interactions energy: -18.067 where: short stacking energy: -18.067 Base-Backbone interact. energy: -0.001 local terms energy: -29.332831 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -54.928255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.928255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.928255 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -8.339 Base-Backbone interact. energy: -0.076 local terms energy: -33.201340 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -2.081 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: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -40.346410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.346410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.346410 (E_RNA) where: Base-Base interactions energy: -14.994 where: short stacking energy: -14.994 Base-Backbone interact. energy: -0.052 local terms energy: -25.299950 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -3.812 flat angles C4'-P-C4' energy: -6.396 flat angles P-C4'-P energy: -6.055 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: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -41.012779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.012779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.012779 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.108 local terms energy: -28.384163 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -0.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -40.443945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.443945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.443945 (E_RNA) where: Base-Base interactions energy: -6.247 where: short stacking energy: -6.247 Base-Backbone interact. energy: -0.001 local terms energy: -34.195953 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -1.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -70.097402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.097402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.097402 (E_RNA) where: Base-Base interactions energy: -35.687 where: short stacking energy: -33.334 Base-Backbone interact. energy: -0.000 local terms energy: -34.410170 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -3.743 tors. eta vs tors. theta energy: -8.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -70.822621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.822621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.822621 (E_RNA) where: Base-Base interactions energy: -33.225 where: short stacking energy: -18.563 Base-Backbone interact. energy: -0.000 local terms energy: -37.597452 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.220 flat angles P-C4'-P energy: -6.886 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: 3, replica: 8 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -53.283685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.283685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.283685 (E_RNA) where: Base-Base interactions energy: -23.264 where: short stacking energy: -21.122 Base-Backbone interact. energy: -0.045 local terms energy: -29.974371 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.903 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -56.062454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.062454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.062454 (E_RNA) where: Base-Base interactions energy: -22.270 where: short stacking energy: -22.270 Base-Backbone interact. energy: -0.000 local terms energy: -33.792161 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.986 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -54.269143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.269143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.269143 (E_RNA) where: Base-Base interactions energy: -22.286 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.140 local terms energy: -31.844066 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -5.053 tors. eta vs tors. theta energy: -4.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -56.173283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.173283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.173283 (E_RNA) where: Base-Base interactions energy: -29.659 where: short stacking energy: -19.352 Base-Backbone interact. energy: -0.423 local terms energy: -26.090970 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -3.824 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: 7, replica: 4 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -46.701318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.701318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.701318 (E_RNA) where: Base-Base interactions energy: -17.185 where: short stacking energy: -17.185 Base-Backbone interact. energy: -0.009 local terms energy: -29.506876 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -5.405 tors. eta vs tors. theta energy: -2.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -51.161054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.161054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.161054 (E_RNA) where: Base-Base interactions energy: -25.025 where: short stacking energy: -23.774 Base-Backbone interact. energy: 1.362 local terms energy: -27.498544 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.386 flat angles P-C4'-P energy: -2.250 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: 9, replica: 9 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -38.981743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.981743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.981743 (E_RNA) where: Base-Base interactions energy: -13.022 where: short stacking energy: -10.841 Base-Backbone interact. energy: -0.001 local terms energy: -25.959297 where: bonds (distance) C4'-P energy: -3.043 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -4.849 flat angles P-C4'-P energy: -4.540 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -51.501345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.501345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.501345 (E_RNA) where: Base-Base interactions energy: -25.451 where: short stacking energy: -21.417 Base-Backbone interact. energy: -0.683 local terms energy: -25.367253 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -5.328 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -2.551 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: 1, replica: 1 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -74.590118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.590118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.590118 (E_RNA) where: Base-Base interactions energy: -38.358 where: short stacking energy: -31.490 Base-Backbone interact. energy: -0.002 local terms energy: -36.230034 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -4.261 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -11.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -61.091072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.091072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.091072 (E_RNA) where: Base-Base interactions energy: -28.714 where: short stacking energy: -28.012 Base-Backbone interact. energy: -0.029 local terms energy: -32.348305 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -4.257 tors. eta vs tors. theta energy: -6.248 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: 3, replica: 10 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -51.367820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.367820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.367820 (E_RNA) where: Base-Base interactions energy: -18.757 where: short stacking energy: -12.765 Base-Backbone interact. energy: 0.010 local terms energy: -32.621509 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -4.493 tors. eta vs tors. theta energy: -2.697 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: 4, replica: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -58.963170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.963170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.963170 (E_RNA) where: Base-Base interactions energy: -24.940 where: short stacking energy: -21.340 Base-Backbone interact. energy: -0.773 local terms energy: -33.249974 where: bonds (distance) C4'-P energy: -6.321 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -4.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -55.845336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.845336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.845336 (E_RNA) where: Base-Base interactions energy: -26.249 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.054 local terms energy: -29.541913 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -3.100 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: 6, replica: 4 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -48.393866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.393866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.393866 (E_RNA) where: Base-Base interactions energy: -15.468 where: short stacking energy: -15.468 Base-Backbone interact. energy: -0.026 local terms energy: -32.900361 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -4.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -41.341124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.341124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.341124 (E_RNA) where: Base-Base interactions energy: -11.898 where: short stacking energy: -10.773 Base-Backbone interact. energy: -0.000 local terms energy: -29.442675 where: bonds (distance) C4'-P energy: -4.131 bonds (distance) P-C4' energy: -8.619 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -4.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -48.843720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.843720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.843720 (E_RNA) where: Base-Base interactions energy: -16.244 where: short stacking energy: -15.407 Base-Backbone interact. energy: -0.108 local terms energy: -32.491427 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -7.384 tors. eta vs tors. theta energy: -1.884 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: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -45.030215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.030215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.030215 (E_RNA) where: Base-Base interactions energy: -16.435 where: short stacking energy: -11.700 Base-Backbone interact. energy: 0.649 local terms energy: -29.244459 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -5.800 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -39.941187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.941187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.941187 (E_RNA) where: Base-Base interactions energy: -16.619 where: short stacking energy: -16.619 Base-Backbone interact. energy: -0.002 local terms energy: -23.320309 where: bonds (distance) C4'-P energy: 0.355 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.691 flat angles P-C4'-P energy: -3.005 tors. eta vs tors. theta energy: -6.551 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: 136 Temperature: 0.900000 Total energy: -60.730425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.730425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.730425 (E_RNA) where: Base-Base interactions energy: -26.847 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.013 local terms energy: -33.869784 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -4.080 tors. eta vs tors. theta energy: -6.030 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: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -72.395587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.395587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.395587 (E_RNA) where: Base-Base interactions energy: -38.454 where: short stacking energy: -25.710 Base-Backbone interact. energy: -0.002 local terms energy: -33.939814 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.197 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -60.925898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.925898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.925898 (E_RNA) where: Base-Base interactions energy: -30.115 where: short stacking energy: -22.325 Base-Backbone interact. energy: 0.148 local terms energy: -30.959051 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -2.863 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -49.583337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.583337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.583337 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -20.307 Base-Backbone interact. energy: -0.050 local terms energy: -28.010694 where: bonds (distance) C4'-P energy: -4.173 bonds (distance) P-C4' energy: -5.730 flat angles C4'-P-C4' energy: -5.775 flat angles P-C4'-P energy: -5.910 tors. eta vs tors. theta energy: -6.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -52.425697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.425697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.425697 (E_RNA) where: Base-Base interactions energy: -21.626 where: short stacking energy: -21.538 Base-Backbone interact. energy: -0.000 local terms energy: -30.799571 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.132 flat angles P-C4'-P energy: -5.586 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: 6, replica: 4 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -49.790770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.790770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.790770 (E_RNA) where: Base-Base interactions energy: -22.393 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.053 local terms energy: -27.344237 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -5.475 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -6.708 tors. eta vs tors. theta energy: -2.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -49.993484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.993484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.993484 (E_RNA) where: Base-Base interactions energy: -21.147 where: short stacking energy: -21.147 Base-Backbone interact. energy: -0.000 local terms energy: -28.845665 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -4.054 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: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -43.759430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.759430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.759430 (E_RNA) where: Base-Base interactions energy: -18.130 where: short stacking energy: -14.306 Base-Backbone interact. energy: 0.728 local terms energy: -26.357830 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.460 flat angles P-C4'-P energy: -5.534 tors. eta vs tors. theta energy: 0.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -45.047709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.047709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.047709 (E_RNA) where: Base-Base interactions energy: -13.198 where: short stacking energy: -13.198 Base-Backbone interact. energy: -0.156 local terms energy: -31.693123 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -2.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -38.233758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.233758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.233758 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.041 local terms energy: -26.084109 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -5.186 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -63.948679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.948679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.948679 (E_RNA) where: Base-Base interactions energy: -28.120 where: short stacking energy: -28.120 Base-Backbone interact. energy: -0.090 local terms energy: -35.738595 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.390 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -5.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -69.324593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.324593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.324593 (E_RNA) where: Base-Base interactions energy: -33.494 where: short stacking energy: -33.494 Base-Backbone interact. energy: -0.000 local terms energy: -35.830564 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -5.455 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -9.909 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: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -71.540939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.540939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.540939 (E_RNA) where: Base-Base interactions energy: -35.788 where: short stacking energy: -24.556 Base-Backbone interact. energy: -1.294 local terms energy: -34.459355 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -5.608 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -9.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -57.892147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.892147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.892147 (E_RNA) where: Base-Base interactions energy: -25.687 where: short stacking energy: -25.687 Base-Backbone interact. energy: -1.231 local terms energy: -30.973243 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.398 flat angles P-C4'-P energy: -1.552 tors. eta vs tors. theta energy: -6.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -47.748755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.748755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.748755 (E_RNA) where: Base-Base interactions energy: -23.032 where: short stacking energy: -18.792 Base-Backbone interact. energy: -0.000 local terms energy: -24.716596 where: bonds (distance) C4'-P energy: -3.998 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -3.376 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -51.420227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.420227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.420227 (E_RNA) where: Base-Base interactions energy: -22.139 where: short stacking energy: -22.139 Base-Backbone interact. energy: -0.064 local terms energy: -29.216785 where: bonds (distance) C4'-P energy: -7.216 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.444 flat angles P-C4'-P energy: -6.095 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: 4 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -48.531963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.531963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.531963 (E_RNA) where: Base-Base interactions energy: -19.710 where: short stacking energy: -19.710 Base-Backbone interact. energy: -0.008 local terms energy: -28.814470 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -4.301 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: 8, replica: 2 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -53.799271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.799271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.799271 (E_RNA) where: Base-Base interactions energy: -20.687 where: short stacking energy: -20.687 Base-Backbone interact. energy: -0.015 local terms energy: -33.097004 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -43.772522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.772522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.772522 (E_RNA) where: Base-Base interactions energy: -12.791 where: short stacking energy: -12.791 Base-Backbone interact. energy: -0.093 local terms energy: -30.888396 where: bonds (distance) C4'-P energy: -7.840 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -6.857 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: 7 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -44.146252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.146252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.146252 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -17.810 Base-Backbone interact. energy: 1.434 local terms energy: -27.769623 where: bonds (distance) C4'-P energy: -5.820 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -2.976 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: 1 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -71.741369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.741369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.741369 (E_RNA) where: Base-Base interactions energy: -32.791 where: short stacking energy: -32.791 Base-Backbone interact. energy: -0.000 local terms energy: -38.950075 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -4.193 tors. eta vs tors. theta energy: -10.108 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: 2, replica: 8 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -69.295700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.295700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.295700 (E_RNA) where: Base-Base interactions energy: -34.431 where: short stacking energy: -23.544 Base-Backbone interact. energy: -0.907 local terms energy: -33.957631 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -6.203 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -73.478439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.478439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.478439 (E_RNA) where: Base-Base interactions energy: -38.105 where: short stacking energy: -31.049 Base-Backbone interact. energy: -0.002 local terms energy: -35.371653 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -4.698 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: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -58.345555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.345555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.345555 (E_RNA) where: Base-Base interactions energy: -28.157 where: short stacking energy: -20.364 Base-Backbone interact. energy: -0.005 local terms energy: -30.182759 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -3.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -52.311564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.311564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.311564 (E_RNA) where: Base-Base interactions energy: -22.418 where: short stacking energy: -21.201 Base-Backbone interact. energy: -0.092 local terms energy: -29.801193 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.036 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -3.349 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: 6, replica: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -49.738464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.738464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.738464 (E_RNA) where: Base-Base interactions energy: -21.577 where: short stacking energy: -21.577 Base-Backbone interact. energy: -0.008 local terms energy: -28.153389 where: bonds (distance) C4'-P energy: -3.159 bonds (distance) P-C4' energy: -7.557 flat angles C4'-P-C4' energy: -7.272 flat angles P-C4'-P energy: -5.988 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: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -45.594710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.594710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.594710 (E_RNA) where: Base-Base interactions energy: -17.211 where: short stacking energy: -17.211 Base-Backbone interact. energy: -0.960 local terms energy: -27.423070 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -2.170 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -6.130 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: 2 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -40.776485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.776485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.776485 (E_RNA) where: Base-Base interactions energy: -15.250 where: short stacking energy: -15.016 Base-Backbone interact. energy: -0.026 local terms energy: -25.500511 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -5.014 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: 138 Temperature: 1.300000 Total energy: -42.122070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.122070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.122070 (E_RNA) where: Base-Base interactions energy: -10.188 where: short stacking energy: -8.316 Base-Backbone interact. energy: -0.000 local terms energy: -31.934106 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -5.967 tors. eta vs tors. theta energy: -1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -41.390706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.390706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.390706 (E_RNA) where: Base-Base interactions energy: -19.048 where: short stacking energy: -12.577 Base-Backbone interact. energy: -0.172 local terms energy: -22.170263 where: bonds (distance) C4'-P energy: -7.514 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -1.850 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -73.675135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.675135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.675135 (E_RNA) where: Base-Base interactions energy: -41.719 where: short stacking energy: -22.979 Base-Backbone interact. energy: -0.002 local terms energy: -31.954425 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -4.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -66.800261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.800261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.800261 (E_RNA) where: Base-Base interactions energy: -33.446 where: short stacking energy: -28.311 Base-Backbone interact. energy: -0.009 local terms energy: -33.344784 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -5.584 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -6.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -53.439254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.439254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.439254 (E_RNA) where: Base-Base interactions energy: -24.155 where: short stacking energy: -23.343 Base-Backbone interact. energy: -0.089 local terms energy: -29.195509 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -4.753 tors. eta vs tors. theta energy: -1.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -58.137085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.137085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.137085 (E_RNA) where: Base-Base interactions energy: -24.165 where: short stacking energy: -24.165 Base-Backbone interact. energy: -0.000 local terms energy: -33.971368 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.616 flat angles P-C4'-P energy: -4.730 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -51.113321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.113321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.113321 (E_RNA) where: Base-Base interactions energy: -18.017 where: short stacking energy: -16.639 Base-Backbone interact. energy: -0.097 local terms energy: -32.999379 where: bonds (distance) C4'-P energy: -5.178 bonds (distance) P-C4' energy: -7.815 flat angles C4'-P-C4' energy: -8.708 flat angles P-C4'-P energy: -5.855 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -47.817676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.817676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.817676 (E_RNA) where: Base-Base interactions energy: -22.750 where: short stacking energy: -9.977 Base-Backbone interact. energy: -0.010 local terms energy: -25.058308 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -4.137 tors. eta vs tors. theta energy: 1.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -45.725432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.725432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.725432 (E_RNA) where: Base-Base interactions energy: -18.324 where: short stacking energy: -17.142 Base-Backbone interact. energy: -0.056 local terms energy: -27.345901 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -3.037 tors. eta vs tors. theta energy: -2.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -47.036831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.036831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.036831 (E_RNA) where: Base-Base interactions energy: -18.459 where: short stacking energy: -9.569 Base-Backbone interact. energy: -0.233 local terms energy: -28.345367 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -5.828 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -0.747 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: 2 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -55.778691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.778691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.778691 (E_RNA) where: Base-Base interactions energy: -25.143 where: short stacking energy: -9.115 Base-Backbone interact. energy: 0.549 local terms energy: -31.184437 where: bonds (distance) C4'-P energy: -6.785 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -40.685963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.685963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.685963 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -11.903 Base-Backbone interact. energy: 0.568 local terms energy: -26.545548 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.329 flat angles C4'-P-C4' energy: -3.420 flat angles P-C4'-P energy: -2.797 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: 1, replica: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -68.702168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.702168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.702168 (E_RNA) where: Base-Base interactions energy: -30.267 where: short stacking energy: -30.267 Base-Backbone interact. energy: -0.000 local terms energy: -38.435062 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -7.101 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: 1 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -65.596534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.596534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.596534 (E_RNA) where: Base-Base interactions energy: -35.852 where: short stacking energy: -16.145 Base-Backbone interact. energy: -1.188 local terms energy: -28.556480 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.645 flat angles P-C4'-P energy: -6.237 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: 3, replica: 9 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -62.368011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.368011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.368011 (E_RNA) where: Base-Base interactions energy: -29.118 where: short stacking energy: -28.073 Base-Backbone interact. energy: -0.000 local terms energy: -33.250055 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -5.069 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -64.372605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.372605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.372605 (E_RNA) where: Base-Base interactions energy: -33.055 where: short stacking energy: -17.788 Base-Backbone interact. energy: -0.419 local terms energy: -30.898091 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: -2.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -49.241817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.241817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.241817 (E_RNA) where: Base-Base interactions energy: -19.453 where: short stacking energy: -18.303 Base-Backbone interact. energy: -0.164 local terms energy: -29.624272 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -7.078 flat angles C4'-P-C4' energy: -7.942 flat angles P-C4'-P energy: -6.474 tors. eta vs tors. theta energy: -1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -54.750543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.750543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.750543 (E_RNA) where: Base-Base interactions energy: -23.839 where: short stacking energy: -16.929 Base-Backbone interact. energy: -0.015 local terms energy: -30.895940 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -5.359 tors. eta vs tors. theta energy: -3.041 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: 140 Temperature: 1.200000 Total energy: -41.958183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.958183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.958183 (E_RNA) where: Base-Base interactions energy: -17.194 where: short stacking energy: -16.218 Base-Backbone interact. energy: 0.251 local terms energy: -25.015417 where: bonds (distance) C4'-P energy: -5.609 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -39.016245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.016245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.016245 (E_RNA) where: Base-Base interactions energy: -12.137 where: short stacking energy: -12.137 Base-Backbone interact. energy: -0.118 local terms energy: -26.761248 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -5.976 flat angles P-C4'-P energy: -6.426 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -47.509305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.509305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.509305 (E_RNA) where: Base-Base interactions energy: -20.588 where: short stacking energy: -19.547 Base-Backbone interact. energy: -0.632 local terms energy: -26.289451 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -4.454 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -2.833 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: 10, replica: 5 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -41.663939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.663939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.663939 (E_RNA) where: Base-Base interactions energy: -13.852 where: short stacking energy: -10.067 Base-Backbone interact. energy: -0.093 local terms energy: -27.718303 where: bonds (distance) C4'-P energy: -5.084 bonds (distance) P-C4' energy: -6.978 flat angles C4'-P-C4' energy: -6.045 flat angles P-C4'-P energy: -4.472 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: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -70.348155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.348155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.348155 (E_RNA) where: Base-Base interactions energy: -32.661 where: short stacking energy: -32.661 Base-Backbone interact. energy: -0.005 local terms energy: -37.682349 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.892 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -9.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -67.420707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.420707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.420707 (E_RNA) where: Base-Base interactions energy: -29.711 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.000 local terms energy: -37.709351 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: -8.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -57.879338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.879338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.879338 (E_RNA) where: Base-Base interactions energy: -23.506 where: short stacking energy: -22.964 Base-Backbone interact. energy: -0.068 local terms energy: -34.304772 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -4.902 flat angles P-C4'-P energy: -5.384 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: 4 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -50.413454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.413454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.413454 (E_RNA) where: Base-Base interactions energy: -21.938 where: short stacking energy: -21.938 Base-Backbone interact. energy: -0.029 local terms energy: -28.446077 where: bonds (distance) C4'-P energy: -5.017 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.963 flat angles P-C4'-P energy: -6.176 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: 5, replica: 10 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -60.892080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.892080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.892080 (E_RNA) where: Base-Base interactions energy: -26.173 where: short stacking energy: -26.173 Base-Backbone interact. energy: -0.000 local terms energy: -34.719144 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.652 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -5.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -46.354908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.354908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.354908 (E_RNA) where: Base-Base interactions energy: -20.173 where: short stacking energy: -11.231 Base-Backbone interact. energy: -0.048 local terms energy: -26.133480 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: 1.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -55.304429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.304429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.304429 (E_RNA) where: Base-Base interactions energy: -24.606 where: short stacking energy: -11.671 Base-Backbone interact. energy: -0.339 local terms energy: -30.359136 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.802 flat angles P-C4'-P energy: -5.977 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: 8, replica: 2 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -46.351716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.351716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.351716 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.000 local terms energy: -30.082036 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -6.441 flat angles P-C4'-P energy: -5.395 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: 9, replica: 3 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -47.446481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.446481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.446481 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.097 local terms energy: -30.697067 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -3.570 flat angles C4'-P-C4' energy: -9.255 flat angles P-C4'-P energy: -3.966 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: 5 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -40.404535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.404535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.404535 (E_RNA) where: Base-Base interactions energy: -17.288 where: short stacking energy: -8.886 Base-Backbone interact. energy: -0.485 local terms energy: -22.631229 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -6.091 flat angles C4'-P-C4' energy: -7.748 flat angles P-C4'-P energy: -4.508 tors. eta vs tors. theta energy: 3.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -65.358573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.358573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.358573 (E_RNA) where: Base-Base interactions energy: -26.515 where: short stacking energy: -26.515 Base-Backbone interact. energy: -0.000 local terms energy: -38.843363 where: bonds (distance) C4'-P energy: -7.721 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -64.036574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.036574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.036574 (E_RNA) where: Base-Base interactions energy: -23.787 where: short stacking energy: -23.787 Base-Backbone interact. energy: -0.009 local terms energy: -40.240503 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -7.239 tors. eta vs tors. theta energy: -6.921 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: 3, replica: 4 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -52.538345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.538345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.538345 (E_RNA) where: Base-Base interactions energy: -18.670 where: short stacking energy: -18.670 Base-Backbone interact. energy: -0.104 local terms energy: -33.763535 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.123 flat angles P-C4'-P energy: -5.939 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: 4, replica: 1 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -58.082906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.082906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.082906 (E_RNA) where: Base-Base interactions energy: -25.751 where: short stacking energy: -19.855 Base-Backbone interact. energy: -0.000 local terms energy: -32.331570 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.456 flat angles P-C4'-P energy: -3.839 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: 10 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -57.109794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.109794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.109794 (E_RNA) where: Base-Base interactions energy: -23.499 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.061 local terms energy: -33.549610 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -1.620 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -52.362932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.362932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.362932 (E_RNA) where: Base-Base interactions energy: -21.079 where: short stacking energy: -13.050 Base-Backbone interact. energy: -0.009 local terms energy: -31.274765 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.255 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -4.785 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: 7, replica: 2 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -50.909110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.909110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.909110 (E_RNA) where: Base-Base interactions energy: -20.521 where: short stacking energy: -16.025 Base-Backbone interact. energy: 0.071 local terms energy: -30.459196 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -3.128 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: 8, replica: 6 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -53.053273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.053273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.053273 (E_RNA) where: Base-Base interactions energy: -21.462 where: short stacking energy: -21.462 Base-Backbone interact. energy: -0.079 local terms energy: -31.511956 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -3.831 flat angles P-C4'-P energy: -5.522 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: 9, replica: 5 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -42.285294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.285294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.285294 (E_RNA) where: Base-Base interactions energy: -10.327 where: short stacking energy: -10.327 Base-Backbone interact. energy: -0.008 local terms energy: -31.950367 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -5.598 tors. eta vs tors. theta energy: -2.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -43.013299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.013299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.013299 (E_RNA) where: Base-Base interactions energy: -17.033 where: short stacking energy: -12.861 Base-Backbone interact. energy: -0.006 local terms energy: -25.975120 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -0.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -77.730828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.730828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.730828 (E_RNA) where: Base-Base interactions energy: -43.812 where: short stacking energy: -25.633 Base-Backbone interact. energy: -0.184 local terms energy: -33.735039 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -7.533 flat angles P-C4'-P energy: -4.837 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: 4 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -62.554013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.554013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.554013 (E_RNA) where: Base-Base interactions energy: -29.270 where: short stacking energy: -29.270 Base-Backbone interact. energy: -0.000 local terms energy: -33.283996 where: bonds (distance) C4'-P energy: -5.601 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.878 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -8.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -50.715760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.715760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.715760 (E_RNA) where: Base-Base interactions energy: -19.524 where: short stacking energy: -15.574 Base-Backbone interact. energy: -0.014 local terms energy: -31.177746 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -3.991 tors. eta vs tors. theta energy: -2.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -54.827612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.827612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.827612 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -20.317 Base-Backbone interact. energy: -0.001 local terms energy: -34.510375 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.721 flat angles P-C4'-P energy: -5.909 tors. eta vs tors. theta energy: -6.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -65.357703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.357703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.357703 (E_RNA) where: Base-Base interactions energy: -30.780 where: short stacking energy: -30.347 Base-Backbone interact. energy: -0.000 local terms energy: -34.577134 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.157 flat angles P-C4'-P energy: -3.865 tors. eta vs tors. theta energy: -9.098 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: 6, replica: 2 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -52.405810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.405810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.405810 (E_RNA) where: Base-Base interactions energy: -21.988 where: short stacking energy: -21.988 Base-Backbone interact. energy: -0.012 local terms energy: -30.405834 where: bonds (distance) C4'-P energy: -7.431 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.018 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -3.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -47.267603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.267603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.267603 (E_RNA) where: Base-Base interactions energy: -18.202 where: short stacking energy: -18.202 Base-Backbone interact. energy: -0.013 local terms energy: -29.052176 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.132 flat angles P-C4'-P energy: -4.199 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: 8, replica: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -45.341456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.341456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.341456 (E_RNA) where: Base-Base interactions energy: -21.442 where: short stacking energy: -16.698 Base-Backbone interact. energy: 0.248 local terms energy: -24.147957 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -5.639 flat angles P-C4'-P energy: -0.825 tors. eta vs tors. theta energy: -2.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -46.927981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.927981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.927981 (E_RNA) where: Base-Base interactions energy: -17.468 where: short stacking energy: -13.130 Base-Backbone interact. energy: -0.002 local terms energy: -29.458163 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -5.774 flat angles P-C4'-P energy: -3.055 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: 10, replica: 3 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -50.800986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.800986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.800986 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -20.150 Base-Backbone interact. energy: -0.042 local terms energy: -30.609010 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -4.409 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: 1, replica: 4 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -55.132329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.132329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.132329 (E_RNA) where: Base-Base interactions energy: -20.338 where: short stacking energy: -16.374 Base-Backbone interact. energy: -0.083 local terms energy: -34.712012 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -4.187 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: 2, replica: 9 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -82.284226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.284226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.284226 (E_RNA) where: Base-Base interactions energy: -47.181 where: short stacking energy: -29.700 Base-Backbone interact. energy: 1.486 local terms energy: -36.589395 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.568 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -6.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -66.747789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.747789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.747789 (E_RNA) where: Base-Base interactions energy: -32.689 where: short stacking energy: -14.433 Base-Backbone interact. energy: -0.068 local terms energy: -33.991307 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -6.341 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: 4, replica: 8 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -58.436604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.436604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.436604 (E_RNA) where: Base-Base interactions energy: -23.499 where: short stacking energy: -23.499 Base-Backbone interact. energy: -0.004 local terms energy: -34.933405 where: bonds (distance) C4'-P energy: -5.410 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -5.830 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: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -58.311478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.311478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.311478 (E_RNA) where: Base-Base interactions energy: -24.719 where: short stacking energy: -24.719 Base-Backbone interact. energy: -0.000 local terms energy: -33.592904 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -8.760 flat angles P-C4'-P energy: -2.397 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: 6, replica: 2 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -49.684015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.684015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.684015 (E_RNA) where: Base-Base interactions energy: -24.778 where: short stacking energy: -14.191 Base-Backbone interact. energy: -0.202 local terms energy: -24.704127 where: bonds (distance) C4'-P energy: -6.256 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.922 flat angles P-C4'-P energy: -3.224 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: 5 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -49.474040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.474040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.474040 (E_RNA) where: Base-Base interactions energy: -19.196 where: short stacking energy: -19.196 Base-Backbone interact. energy: -0.002 local terms energy: -30.276160 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -5.903 flat angles C4'-P-C4' energy: -6.588 flat angles P-C4'-P energy: -6.941 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: 7 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -46.514717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.514717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.514717 (E_RNA) where: Base-Base interactions energy: -25.384 where: short stacking energy: -12.641 Base-Backbone interact. energy: -0.067 local terms energy: -21.063983 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -4.843 flat angles P-C4'-P energy: -2.898 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: 9, replica: 3 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -40.421072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.421072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.421072 (E_RNA) where: Base-Base interactions energy: -13.637 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.167 local terms energy: -26.617567 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.033 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -38.018378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.018378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.018378 (E_RNA) where: Base-Base interactions energy: -12.003 where: short stacking energy: -10.958 Base-Backbone interact. energy: -0.059 local terms energy: -25.955960 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -1.948 flat angles P-C4'-P energy: -6.065 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: 145 Temperature: 0.900000 Total energy: -67.426817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.426817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.426817 (E_RNA) where: Base-Base interactions energy: -28.080 where: short stacking energy: -28.080 Base-Backbone interact. energy: -0.006 local terms energy: -39.341163 where: bonds (distance) C4'-P energy: -4.969 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -9.657 flat angles P-C4'-P energy: -6.210 tors. eta vs tors. theta energy: -10.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -82.403528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.403528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.403528 (E_RNA) where: Base-Base interactions energy: -47.365 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.002 local terms energy: -35.036336 where: bonds (distance) C4'-P energy: -4.479 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.636 flat angles P-C4'-P energy: -6.881 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: 3, replica: 10 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -62.748321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.748321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.748321 (E_RNA) where: Base-Base interactions energy: -33.415 where: short stacking energy: -29.257 Base-Backbone interact. energy: -0.000 local terms energy: -29.332959 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -4.094 tors. eta vs tors. theta energy: -7.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -59.640328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.640328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.640328 (E_RNA) where: Base-Base interactions energy: -27.130 where: short stacking energy: -27.130 Base-Backbone interact. energy: -0.005 local terms energy: -32.505676 where: bonds (distance) C4'-P energy: -4.996 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -7.013 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: 5, replica: 8 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -55.451032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.451032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.451032 (E_RNA) where: Base-Base interactions energy: -21.616 where: short stacking energy: -21.616 Base-Backbone interact. energy: -0.006 local terms energy: -33.829168 where: bonds (distance) C4'-P energy: -6.964 bonds (distance) P-C4' energy: -5.254 flat angles C4'-P-C4' energy: -8.368 flat angles P-C4'-P energy: -7.028 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: 6, replica: 2 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -50.046915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.046915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.046915 (E_RNA) where: Base-Base interactions energy: -18.603 where: short stacking energy: -17.382 Base-Backbone interact. energy: 0.271 local terms energy: -31.714610 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -6.910 flat angles P-C4'-P energy: -6.928 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: 7, replica: 5 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -56.053844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.053844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.053844 (E_RNA) where: Base-Base interactions energy: -27.167 where: short stacking energy: -27.031 Base-Backbone interact. energy: -0.003 local terms energy: -28.884082 where: bonds (distance) C4'-P energy: -2.897 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -3.224 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: 8, replica: 3 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -45.321449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.321449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.321449 (E_RNA) where: Base-Base interactions energy: -16.251 where: short stacking energy: -16.251 Base-Backbone interact. energy: 0.056 local terms energy: -29.126379 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -4.112 tors. eta vs tors. theta energy: -1.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -46.699287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.699287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.699287 (E_RNA) where: Base-Base interactions energy: -14.471 where: short stacking energy: -14.471 Base-Backbone interact. energy: -0.017 local terms energy: -32.210958 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.231 flat angles P-C4'-P energy: -3.496 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: 6 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -46.002865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.002865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.002865 (E_RNA) where: Base-Base interactions energy: -13.781 where: short stacking energy: -12.702 Base-Backbone interact. energy: -0.080 local terms energy: -32.142075 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -80.551566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.551566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.551566 (E_RNA) where: Base-Base interactions energy: -43.792 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.015 local terms energy: -36.744952 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.373 tors. eta vs tors. theta energy: -7.456 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: 4 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -63.779511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.779511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.779511 (E_RNA) where: Base-Base interactions energy: -27.442 where: short stacking energy: -27.442 Base-Backbone interact. energy: 0.314 local terms energy: -36.651946 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.020 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: 3, replica: 10 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -61.598126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.598126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.598126 (E_RNA) where: Base-Base interactions energy: -28.858 where: short stacking energy: -21.194 Base-Backbone interact. energy: -0.001 local terms energy: -32.739733 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.156 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -0.952 tors. eta vs tors. theta energy: -8.854 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: 1 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -65.846241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.846241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.846241 (E_RNA) where: Base-Base interactions energy: -32.789 where: short stacking energy: -18.371 Base-Backbone interact. energy: -1.019 local terms energy: -32.038934 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -5.321 flat angles C4'-P-C4' energy: -8.046 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -5.701 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: 146 Temperature: 1.100000 Total energy: -67.109080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.109080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.109080 (E_RNA) where: Base-Base interactions energy: -37.663 where: short stacking energy: -15.568 Base-Backbone interact. energy: -0.018 local terms energy: -29.428064 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -5.545 flat angles C4'-P-C4' energy: -7.527 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -56.429174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.429174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.429174 (E_RNA) where: Base-Base interactions energy: -21.733 where: short stacking energy: -18.865 Base-Backbone interact. energy: -0.001 local terms energy: -34.694749 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -5.806 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: 5 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -52.015024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.015024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.015024 (E_RNA) where: Base-Base interactions energy: -25.746 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.107 local terms energy: -26.162490 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -5.772 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -1.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -43.714539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.714539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.714539 (E_RNA) where: Base-Base interactions energy: -25.221 where: short stacking energy: -15.729 Base-Backbone interact. energy: -0.009 local terms energy: -18.484993 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.194 flat angles C4'-P-C4' energy: -4.669 flat angles P-C4'-P energy: -2.158 tors. eta vs tors. theta energy: 1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -57.262274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.262274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.262274 (E_RNA) where: Base-Base interactions energy: -25.636 where: short stacking energy: -25.636 Base-Backbone interact. energy: -0.000 local terms energy: -31.625735 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -4.289 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -49.088542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.088542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.088542 (E_RNA) where: Base-Base interactions energy: -19.739 where: short stacking energy: -19.739 Base-Backbone interact. energy: -0.000 local terms energy: -29.349430 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -2.475 flat angles P-C4'-P energy: -3.677 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: 1, replica: 9 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -77.567008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.567008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.567008 (E_RNA) where: Base-Base interactions energy: -45.196 where: short stacking energy: -28.619 Base-Backbone interact. energy: -0.000 local terms energy: -32.370277 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -5.607 flat angles C4'-P-C4' energy: -6.686 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -8.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -68.703646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.703646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.703646 (E_RNA) where: Base-Base interactions energy: -31.192 where: short stacking energy: -31.192 Base-Backbone interact. energy: -0.000 local terms energy: -37.511411 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.203 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -9.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -65.231192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.231192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.231192 (E_RNA) where: Base-Base interactions energy: -28.995 where: short stacking energy: -28.995 Base-Backbone interact. energy: -0.005 local terms energy: -36.231519 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.904 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -59.783227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.783227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.783227 (E_RNA) where: Base-Base interactions energy: -31.812 where: short stacking energy: -18.193 Base-Backbone interact. energy: -0.005 local terms energy: -27.966150 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -6.297 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -2.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -53.752096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.752096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.752096 (E_RNA) where: Base-Base interactions energy: -22.504 where: short stacking energy: -22.504 Base-Backbone interact. energy: -0.040 local terms energy: -31.207985 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -5.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -53.850677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.850677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.850677 (E_RNA) where: Base-Base interactions energy: -24.371 where: short stacking energy: -24.371 Base-Backbone interact. energy: -0.014 local terms energy: -29.466199 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -3.602 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: 7, replica: 2 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -47.296127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.296127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.296127 (E_RNA) where: Base-Base interactions energy: -18.315 where: short stacking energy: -18.315 Base-Backbone interact. energy: -0.375 local terms energy: -28.606794 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -1.586 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: 6 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -44.715267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.715267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.715267 (E_RNA) where: Base-Base interactions energy: -19.807 where: short stacking energy: -9.036 Base-Backbone interact. energy: -0.207 local terms energy: -24.700787 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -4.573 flat angles C4'-P-C4' energy: -5.729 flat angles P-C4'-P energy: -6.742 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: 9, replica: 3 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -42.912111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.912111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.912111 (E_RNA) where: Base-Base interactions energy: -14.834 where: short stacking energy: -14.248 Base-Backbone interact. energy: 0.271 local terms energy: -28.349912 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -4.298 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -6.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -38.646699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.646699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.646699 (E_RNA) where: Base-Base interactions energy: -17.295 where: short stacking energy: -17.295 Base-Backbone interact. energy: -0.152 local terms energy: -21.200234 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -0.068 flat angles P-C4'-P energy: -7.508 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: 4 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -64.642989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.642989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.642989 (E_RNA) where: Base-Base interactions energy: -27.309 where: short stacking energy: -26.960 Base-Backbone interact. energy: -0.002 local terms energy: -37.331874 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -8.582 flat angles P-C4'-P energy: -6.983 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: 2, replica: 9 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -69.991309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.991309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.991309 (E_RNA) where: Base-Base interactions energy: -31.513 where: short stacking energy: -25.075 Base-Backbone interact. energy: -0.053 local terms energy: -38.424520 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.771 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -7.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -57.642099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.642099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.642099 (E_RNA) where: Base-Base interactions energy: -25.516 where: short stacking energy: -25.516 Base-Backbone interact. energy: -0.006 local terms energy: -32.119710 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -7.201 flat angles P-C4'-P energy: -5.571 tors. eta vs tors. theta energy: -6.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -62.765926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.765926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.765926 (E_RNA) where: Base-Base interactions energy: -23.596 where: short stacking energy: -19.558 Base-Backbone interact. energy: -0.000 local terms energy: -39.170306 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -7.988 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -6.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -56.062400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.062400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.062400 (E_RNA) where: Base-Base interactions energy: -23.362 where: short stacking energy: -23.362 Base-Backbone interact. energy: -0.023 local terms energy: -32.677176 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.293 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -5.839 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: 6, replica: 5 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -55.505836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.505836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.505836 (E_RNA) where: Base-Base interactions energy: -24.446 where: short stacking energy: -24.446 Base-Backbone interact. energy: -0.005 local terms energy: -31.055394 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -4.960 flat angles P-C4'-P energy: -4.393 tors. eta vs tors. theta energy: -7.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -43.813259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.813259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.813259 (E_RNA) where: Base-Base interactions energy: -17.338 where: short stacking energy: -16.553 Base-Backbone interact. energy: -0.002 local terms energy: -26.473311 where: bonds (distance) C4'-P energy: -4.819 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.734 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -41.106230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.106230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.106230 (E_RNA) where: Base-Base interactions energy: -16.642 where: short stacking energy: -16.088 Base-Backbone interact. energy: -0.000 local terms energy: -24.463597 where: bonds (distance) C4'-P energy: -4.925 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -4.397 flat angles P-C4'-P energy: -1.685 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: 9, replica: 3 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -44.190031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.190031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.190031 (E_RNA) where: Base-Base interactions energy: -17.298 where: short stacking energy: -17.298 Base-Backbone interact. energy: -0.086 local terms energy: -26.805295 where: bonds (distance) C4'-P energy: -5.555 bonds (distance) P-C4' energy: -3.935 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -5.683 tors. eta vs tors. theta energy: -6.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -44.212221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.212221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.212221 (E_RNA) where: Base-Base interactions energy: -15.652 where: short stacking energy: -15.652 Base-Backbone interact. energy: -0.100 local terms energy: -28.460714 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -7.770 flat angles C4'-P-C4' energy: -6.082 flat angles P-C4'-P energy: -3.234 tors. eta vs tors. theta energy: -4.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -66.557290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.557290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.557290 (E_RNA) where: Base-Base interactions energy: -29.397 where: short stacking energy: -25.863 Base-Backbone interact. energy: -0.001 local terms energy: -37.158732 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -3.562 tors. eta vs tors. theta energy: -8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -71.465961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.465961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.465961 (E_RNA) where: Base-Base interactions energy: -32.883 where: short stacking energy: -32.883 Base-Backbone interact. energy: -0.273 local terms energy: -38.310051 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -6.409 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: 9 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -69.679687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.679687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.679687 (E_RNA) where: Base-Base interactions energy: -31.973 where: short stacking energy: -31.973 Base-Backbone interact. energy: -0.000 local terms energy: -37.706913 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.334 flat angles C4'-P-C4' energy: -8.745 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -56.406369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.406369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.406369 (E_RNA) where: Base-Base interactions energy: -24.453 where: short stacking energy: -21.994 Base-Backbone interact. energy: -0.000 local terms energy: -31.953390 where: bonds (distance) C4'-P energy: -5.979 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -3.799 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: 5, replica: 1 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -51.315440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.315440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.315440 (E_RNA) where: Base-Base interactions energy: -22.462 where: short stacking energy: -12.153 Base-Backbone interact. energy: -0.047 local terms energy: -28.807122 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -2.566 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: 6, replica: 5 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -56.891848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.891848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.891848 (E_RNA) where: Base-Base interactions energy: -20.317 where: short stacking energy: -20.317 Base-Backbone interact. energy: -0.000 local terms energy: -36.574427 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.721 flat angles P-C4'-P energy: -3.155 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: 7, replica: 6 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -50.804196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.804196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.804196 (E_RNA) where: Base-Base interactions energy: -23.284 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.113 local terms energy: -27.407343 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: 0.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -44.938296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.938296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.938296 (E_RNA) where: Base-Base interactions energy: -13.945 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.027 local terms energy: -30.967039 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -0.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -46.682326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.682326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.682326 (E_RNA) where: Base-Base interactions energy: -17.263 where: short stacking energy: -17.263 Base-Backbone interact. energy: -0.000 local terms energy: -29.419329 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -4.797 tors. eta vs tors. theta energy: -2.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -39.649006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.649006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.649006 (E_RNA) where: Base-Base interactions energy: -10.387 where: short stacking energy: -10.387 Base-Backbone interact. energy: -0.001 local terms energy: -29.261078 where: bonds (distance) C4'-P energy: -6.788 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.335 flat angles P-C4'-P energy: -5.145 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: 10 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -78.724652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.724652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.724652 (E_RNA) where: Base-Base interactions energy: -44.154 where: short stacking energy: -27.464 Base-Backbone interact. energy: -0.000 local terms energy: -34.570309 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.219 flat angles P-C4'-P energy: -5.887 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: 2, replica: 4 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -61.349192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.349192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.349192 (E_RNA) where: Base-Base interactions energy: -27.319 where: short stacking energy: -22.466 Base-Backbone interact. energy: -0.006 local terms energy: -34.023476 where: bonds (distance) C4'-P energy: -7.149 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -6.906 tors. eta vs tors. theta energy: -5.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -57.354631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.354631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.354631 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -24.404 Base-Backbone interact. energy: -0.003 local terms energy: -32.947668 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -7.942 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -4.826 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: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -67.477697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.477697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.477697 (E_RNA) where: Base-Base interactions energy: -28.716 where: short stacking energy: -28.716 Base-Backbone interact. energy: -0.000 local terms energy: -38.761652 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -9.576 flat angles P-C4'-P energy: -4.469 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: 5, replica: 5 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -60.393706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.393706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.393706 (E_RNA) where: Base-Base interactions energy: -23.142 where: short stacking energy: -20.696 Base-Backbone interact. energy: -0.029 local terms energy: -37.222596 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -5.492 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: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -49.638063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.638063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.638063 (E_RNA) where: Base-Base interactions energy: -21.140 where: short stacking energy: -17.138 Base-Backbone interact. energy: -0.032 local terms energy: -28.465805 where: bonds (distance) C4'-P energy: -3.006 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.531 tors. eta vs tors. theta energy: -1.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -50.023797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.023797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.023797 (E_RNA) where: Base-Base interactions energy: -18.041 where: short stacking energy: -18.041 Base-Backbone interact. energy: 0.347 local terms energy: -32.329007 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.513 flat angles P-C4'-P energy: -6.262 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: 8, replica: 6 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -43.706005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.706005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.706005 (E_RNA) where: Base-Base interactions energy: -14.596 where: short stacking energy: -13.725 Base-Backbone interact. energy: 0.523 local terms energy: -29.633184 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.577 flat angles P-C4'-P energy: -4.895 tors. eta vs tors. theta energy: -1.303 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: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -53.984607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.984607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.984607 (E_RNA) where: Base-Base interactions energy: -25.029 where: short stacking energy: -24.598 Base-Backbone interact. energy: -0.002 local terms energy: -28.953165 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -5.420 flat angles P-C4'-P energy: -4.021 tors. eta vs tors. theta energy: -4.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -50.396032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.396032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.396032 (E_RNA) where: Base-Base interactions energy: -24.367 where: short stacking energy: -17.336 Base-Backbone interact. energy: -0.000 local terms energy: -26.028335 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -5.029 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -0.907 tors. eta vs tors. theta energy: -3.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -70.232747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.232747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.232747 (E_RNA) where: Base-Base interactions energy: -33.417 where: short stacking energy: -24.313 Base-Backbone interact. energy: -0.067 local terms energy: -36.748633 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.697 flat angles P-C4'-P energy: -5.154 tors. eta vs tors. theta energy: -7.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -60.382052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.382052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.382052 (E_RNA) where: Base-Base interactions energy: -28.602 where: short stacking energy: -27.446 Base-Backbone interact. energy: -0.003 local terms energy: -31.776887 where: bonds (distance) C4'-P energy: -9.368 bonds (distance) P-C4' energy: -4.078 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.199 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: 8 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -55.894467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.894467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.894467 (E_RNA) where: Base-Base interactions energy: -22.109 where: short stacking energy: -18.776 Base-Backbone interact. energy: -0.009 local terms energy: -33.776775 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -55.681683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.681683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.681683 (E_RNA) where: Base-Base interactions energy: -25.748 where: short stacking energy: -17.124 Base-Backbone interact. energy: -0.998 local terms energy: -28.935410 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -2.994 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: 5, replica: 9 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -45.557604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.557604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.557604 (E_RNA) where: Base-Base interactions energy: -19.725 where: short stacking energy: -14.899 Base-Backbone interact. energy: -0.043 local terms energy: -25.788697 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -3.702 tors. eta vs tors. theta energy: 2.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -47.525986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.525986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.525986 (E_RNA) where: Base-Base interactions energy: -19.772 where: short stacking energy: -19.772 Base-Backbone interact. energy: -0.020 local terms energy: -27.734753 where: bonds (distance) C4'-P energy: -5.068 bonds (distance) P-C4' energy: -7.288 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -3.338 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: 7, replica: 1 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -50.777458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.777458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.777458 (E_RNA) where: Base-Base interactions energy: -22.793 where: short stacking energy: -12.968 Base-Backbone interact. energy: -0.113 local terms energy: -27.870743 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -0.844 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: 8, replica: 7 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -56.403159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.403159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.403159 (E_RNA) where: Base-Base interactions energy: -30.569 where: short stacking energy: -21.032 Base-Backbone interact. energy: -0.002 local terms energy: -25.832360 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -3.736 tors. eta vs tors. theta energy: -1.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -50.875501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.875501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.875501 (E_RNA) where: Base-Base interactions energy: -21.355 where: short stacking energy: -21.355 Base-Backbone interact. energy: -0.001 local terms energy: -29.519963 where: bonds (distance) C4'-P energy: -3.203 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -3.904 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: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -39.517265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.517265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.517265 (E_RNA) where: Base-Base interactions energy: -9.445 where: short stacking energy: -6.472 Base-Backbone interact. energy: -0.098 local terms energy: -29.973818 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.840 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -3.640 tors. eta vs tors. theta energy: -3.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -62.841445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.841445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.841445 (E_RNA) where: Base-Base interactions energy: -27.208 where: short stacking energy: -27.208 Base-Backbone interact. energy: -0.001 local terms energy: -35.632973 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -6.102 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: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -70.234890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.234890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.234890 (E_RNA) where: Base-Base interactions energy: -31.316 where: short stacking energy: -31.316 Base-Backbone interact. energy: -0.000 local terms energy: -38.919270 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.696 flat angles P-C4'-P energy: -5.063 tors. eta vs tors. theta energy: -10.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -60.991711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.991711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.991711 (E_RNA) where: Base-Base interactions energy: -30.512 where: short stacking energy: -21.882 Base-Backbone interact. energy: -0.146 local terms energy: -30.334089 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.352 flat angles P-C4'-P energy: -6.159 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: 4, replica: 5 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -50.578164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.578164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.578164 (E_RNA) where: Base-Base interactions energy: -19.516 where: short stacking energy: -19.516 Base-Backbone interact. energy: -0.004 local terms energy: -31.058556 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -5.083 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -49.235224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.235224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.235224 (E_RNA) where: Base-Base interactions energy: -20.564 where: short stacking energy: -12.061 Base-Backbone interact. energy: -0.064 local terms energy: -28.607770 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -5.193 tors. eta vs tors. theta energy: 0.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -52.017527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.017527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.017527 (E_RNA) where: Base-Base interactions energy: -21.662 where: short stacking energy: -21.662 Base-Backbone interact. energy: -0.002 local terms energy: -30.353315 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.307 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -2.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -47.943206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.943206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.943206 (E_RNA) where: Base-Base interactions energy: -14.336 where: short stacking energy: -14.336 Base-Backbone interact. energy: -0.000 local terms energy: -33.607191 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.324 flat angles P-C4'-P energy: -6.249 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: 8, replica: 1 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -46.274977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.274977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.274977 (E_RNA) where: Base-Base interactions energy: -16.321 where: short stacking energy: -16.321 Base-Backbone interact. energy: -0.057 local terms energy: -29.897010 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.814 flat angles P-C4'-P energy: -7.020 tors. eta vs tors. theta energy: -1.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -41.711565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.711565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.711565 (E_RNA) where: Base-Base interactions energy: -16.690 where: short stacking energy: -16.503 Base-Backbone interact. energy: -0.000 local terms energy: -25.021190 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -0.857 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: 6 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -37.310078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.310078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.310078 (E_RNA) where: Base-Base interactions energy: -9.060 where: short stacking energy: -8.167 Base-Backbone interact. energy: -0.126 local terms energy: -28.124375 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.246 flat angles P-C4'-P energy: -5.354 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: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -70.492393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.492393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.492393 (E_RNA) where: Base-Base interactions energy: -33.660 where: short stacking energy: -27.332 Base-Backbone interact. energy: -0.000 local terms energy: -36.832101 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -3.609 tors. eta vs tors. theta energy: -8.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -56.894578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.894578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.894578 (E_RNA) where: Base-Base interactions energy: -22.759 where: short stacking energy: -22.759 Base-Backbone interact. energy: -0.024 local terms energy: -34.111595 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -5.690 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: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -66.663023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.663023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.663023 (E_RNA) where: Base-Base interactions energy: -30.668 where: short stacking energy: -30.499 Base-Backbone interact. energy: -0.000 local terms energy: -35.995484 where: bonds (distance) C4'-P energy: -4.662 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -9.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -52.700382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.700382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.700382 (E_RNA) where: Base-Base interactions energy: -22.370 where: short stacking energy: -14.200 Base-Backbone interact. energy: -0.108 local terms energy: -30.222715 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -7.558 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -0.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -55.916133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.916133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.916133 (E_RNA) where: Base-Base interactions energy: -31.465 where: short stacking energy: -22.365 Base-Backbone interact. energy: -0.006 local terms energy: -24.444783 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -6.226 flat angles C4'-P-C4' energy: -3.477 flat angles P-C4'-P energy: -2.876 tors. eta vs tors. theta energy: -3.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -43.779225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.779225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.779225 (E_RNA) where: Base-Base interactions energy: -17.794 where: short stacking energy: -17.794 Base-Backbone interact. energy: -0.002 local terms energy: -25.984035 where: bonds (distance) C4'-P energy: -5.782 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -6.144 flat angles P-C4'-P energy: -2.776 tors. eta vs tors. theta energy: -3.931 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: 9 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -53.990820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.990820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.990820 (E_RNA) where: Base-Base interactions energy: -23.862 where: short stacking energy: -22.278 Base-Backbone interact. energy: -0.100 local terms energy: -30.028437 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.043 flat angles P-C4'-P energy: -5.227 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: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -44.312163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.312163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.312163 (E_RNA) where: Base-Base interactions energy: -12.059 where: short stacking energy: -12.059 Base-Backbone interact. energy: -0.000 local terms energy: -32.253437 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -6.940 flat angles C4'-P-C4' energy: -5.325 flat angles P-C4'-P energy: -6.930 tors. eta vs tors. theta energy: -4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -40.796648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.796648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.796648 (E_RNA) where: Base-Base interactions energy: -15.236 where: short stacking energy: -15.236 Base-Backbone interact. energy: -0.001 local terms energy: -25.559941 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -2.915 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: 10, replica: 6 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -45.727483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.727483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.727483 (E_RNA) where: Base-Base interactions energy: -18.599 where: short stacking energy: -13.090 Base-Backbone interact. energy: -0.062 local terms energy: -27.066275 where: bonds (distance) C4'-P energy: -7.274 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -3.974 tors. eta vs tors. theta energy: -2.974 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: 154 Temperature: 0.900000 Total energy: -72.634929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.634929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.634929 (E_RNA) where: Base-Base interactions energy: -35.413 where: short stacking energy: -29.006 Base-Backbone interact. energy: -0.000 local terms energy: -37.221665 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -7.320 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: 2, replica: 8 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -60.675466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.675466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.675466 (E_RNA) where: Base-Base interactions energy: -23.301 where: short stacking energy: -23.301 Base-Backbone interact. energy: -0.007 local terms energy: -37.367534 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -5.751 tors. eta vs tors. theta energy: -7.535 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: 10 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -60.979611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.979611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.979611 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -25.967 Base-Backbone interact. energy: -0.000 local terms energy: -35.012600 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.119 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -5.617 tors. eta vs tors. theta energy: -8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -50.206051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.206051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.206051 (E_RNA) where: Base-Base interactions energy: -17.934 where: short stacking energy: -17.852 Base-Backbone interact. energy: -0.029 local terms energy: -32.243153 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -8.730 flat angles P-C4'-P energy: -4.476 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: 5, replica: 7 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -53.690992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.690992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.690992 (E_RNA) where: Base-Base interactions energy: -21.813 where: short stacking energy: -15.643 Base-Backbone interact. energy: -0.005 local terms energy: -31.873088 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.502 tors. eta vs tors. theta energy: -3.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -61.273093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.273093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.273093 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -21.695 Base-Backbone interact. energy: -0.005 local terms energy: -35.241634 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -3.853 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: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -44.181235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.181235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.181235 (E_RNA) where: Base-Base interactions energy: -17.296 where: short stacking energy: -17.296 Base-Backbone interact. energy: -0.028 local terms energy: -26.857607 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -3.275 flat angles P-C4'-P energy: -6.123 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: 8, replica: 9 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -37.989971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.989971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.989971 (E_RNA) where: Base-Base interactions energy: -12.185 where: short stacking energy: -9.421 Base-Backbone interact. energy: -0.952 local terms energy: -24.853578 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.801 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: 9, replica: 6 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -42.409322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.409322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.409322 (E_RNA) where: Base-Base interactions energy: -14.236 where: short stacking energy: -14.236 Base-Backbone interact. energy: -0.091 local terms energy: -28.082607 where: bonds (distance) C4'-P energy: -6.711 bonds (distance) P-C4' energy: -4.882 flat angles C4'-P-C4' energy: -7.655 flat angles P-C4'-P energy: -5.057 tors. eta vs tors. theta energy: -3.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -37.185685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.185685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.185685 (E_RNA) where: Base-Base interactions energy: -9.824 where: short stacking energy: -9.824 Base-Backbone interact. energy: -0.300 local terms energy: -27.061824 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -8.520 flat angles P-C4'-P energy: -5.529 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: 155 Temperature: 0.900000 Total energy: -69.782367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.782367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.782367 (E_RNA) where: Base-Base interactions energy: -34.866 where: short stacking energy: -29.639 Base-Backbone interact. energy: -0.709 local terms energy: -34.206875 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -63.309927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.309927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.309927 (E_RNA) where: Base-Base interactions energy: -24.793 where: short stacking energy: -24.793 Base-Backbone interact. energy: -0.000 local terms energy: -38.517118 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.377 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -8.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -64.864666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.864666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.864666 (E_RNA) where: Base-Base interactions energy: -37.229 where: short stacking energy: -18.927 Base-Backbone interact. energy: -0.001 local terms energy: -27.634322 where: bonds (distance) C4'-P energy: -5.043 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -3.947 flat angles P-C4'-P energy: -5.732 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: 4, replica: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -54.982484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.982484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.982484 (E_RNA) where: Base-Base interactions energy: -23.387 where: short stacking energy: -23.387 Base-Backbone interact. energy: -0.084 local terms energy: -31.511912 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -7.567 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -49.759754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.759754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.759754 (E_RNA) where: Base-Base interactions energy: -19.389 where: short stacking energy: -16.121 Base-Backbone interact. energy: -0.230 local terms energy: -30.140361 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -5.533 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: 6, replica: 5 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -54.352288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.352288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.352288 (E_RNA) where: Base-Base interactions energy: -21.849 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.000 local terms energy: -32.503264 where: bonds (distance) C4'-P energy: -4.081 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -6.885 flat angles P-C4'-P energy: -7.254 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: 7, replica: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -50.368564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.368564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.368564 (E_RNA) where: Base-Base interactions energy: -24.072 where: short stacking energy: -15.828 Base-Backbone interact. energy: -0.037 local terms energy: -26.259024 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -3.361 tors. eta vs tors. theta energy: -2.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -54.489845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.489845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.489845 (E_RNA) where: Base-Base interactions energy: -22.375 where: short stacking energy: -22.375 Base-Backbone interact. energy: -0.047 local terms energy: -32.067742 where: bonds (distance) C4'-P energy: -5.790 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.453 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -3.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -35.229252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.229252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.229252 (E_RNA) where: Base-Base interactions energy: -7.735 where: short stacking energy: -7.735 Base-Backbone interact. energy: 0.109 local terms energy: -27.602563 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -5.775 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -43.831528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.831528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.831528 (E_RNA) where: Base-Base interactions energy: -16.159 where: short stacking energy: -14.481 Base-Backbone interact. energy: -0.901 local terms energy: -26.772102 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -4.288 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -68.498968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.498968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.498968 (E_RNA) where: Base-Base interactions energy: -31.341 where: short stacking energy: -31.341 Base-Backbone interact. energy: -0.000 local terms energy: -37.158330 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -6.992 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -7.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -73.214594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.214594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.214594 (E_RNA) where: Base-Base interactions energy: -33.223 where: short stacking energy: -33.223 Base-Backbone interact. energy: -0.000 local terms energy: -39.991080 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -11.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -61.838984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.838984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.838984 (E_RNA) where: Base-Base interactions energy: -33.480 where: short stacking energy: -17.592 Base-Backbone interact. energy: -0.203 local terms energy: -28.156264 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -1.167 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -61.828916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.828916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.828916 (E_RNA) where: Base-Base interactions energy: -28.647 where: short stacking energy: -20.975 Base-Backbone interact. energy: -0.001 local terms energy: -33.180881 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: -5.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -56.467097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.467097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.467097 (E_RNA) where: Base-Base interactions energy: -22.428 where: short stacking energy: -22.428 Base-Backbone interact. energy: -0.000 local terms energy: -34.039051 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -3.768 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: 6, replica: 5 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -54.321806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.321806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.321806 (E_RNA) where: Base-Base interactions energy: -23.808 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.134 local terms energy: -30.379938 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.876 flat angles P-C4'-P energy: -4.496 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: 7, replica: 6 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -47.520565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.520565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.520565 (E_RNA) where: Base-Base interactions energy: -19.489 where: short stacking energy: -19.489 Base-Backbone interact. energy: -0.009 local terms energy: -28.022656 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -4.824 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -39.603382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.603382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.603382 (E_RNA) where: Base-Base interactions energy: -10.180 where: short stacking energy: -10.180 Base-Backbone interact. energy: 0.125 local terms energy: -29.547909 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.217 flat angles P-C4'-P energy: -5.669 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: 9, replica: 1 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -46.255555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.255555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.255555 (E_RNA) where: Base-Base interactions energy: -19.502 where: short stacking energy: -19.502 Base-Backbone interact. energy: -0.095 local terms energy: -26.658332 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -7.777 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: -2.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -32.698685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -32.698685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -32.698685 (E_RNA) where: Base-Base interactions energy: -11.767 where: short stacking energy: -9.514 Base-Backbone interact. energy: 2.175 local terms energy: -23.106581 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.688 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -4.132 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: 1, replica: 10 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -65.458226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.458226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.458226 (E_RNA) where: Base-Base interactions energy: -29.699 where: short stacking energy: -29.699 Base-Backbone interact. energy: -0.000 local terms energy: -35.758985 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.293 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -8.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -61.099849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.099849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.099849 (E_RNA) where: Base-Base interactions energy: -28.141 where: short stacking energy: -28.141 Base-Backbone interact. energy: -0.007 local terms energy: -32.951943 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -4.219 flat angles P-C4'-P energy: -5.140 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: 3, replica: 4 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -64.600780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.600780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.600780 (E_RNA) where: Base-Base interactions energy: -29.321 where: short stacking energy: -27.469 Base-Backbone interact. energy: -2.011 local terms energy: -33.268099 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -61.181326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.181326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.181326 (E_RNA) where: Base-Base interactions energy: -24.228 where: short stacking energy: -24.228 Base-Backbone interact. energy: -0.004 local terms energy: -36.949757 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -5.071 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: 8 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -52.470833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.470833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.470833 (E_RNA) where: Base-Base interactions energy: -26.451 where: short stacking energy: -26.451 Base-Backbone interact. energy: -0.002 local terms energy: -26.017136 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.769 flat angles P-C4'-P energy: -2.273 tors. eta vs tors. theta energy: -5.942 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: 6 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -44.553787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.553787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.553787 (E_RNA) where: Base-Base interactions energy: -19.082 where: short stacking energy: -17.211 Base-Backbone interact. energy: -0.001 local terms energy: -25.470822 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -3.917 flat angles P-C4'-P energy: -2.260 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -46.622016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.622016 (E_RNA) where: Base-Base interactions energy: -18.514 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.087 local terms energy: -28.020327 where: bonds (distance) C4'-P energy: -8.424 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.357 flat angles P-C4'-P energy: -5.394 tors. eta vs tors. theta energy: -1.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -44.684843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.684843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.684843 (E_RNA) where: Base-Base interactions energy: -16.590 where: short stacking energy: -16.590 Base-Backbone interact. energy: -0.098 local terms energy: -27.996772 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -4.230 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -47.451602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.451602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.451602 (E_RNA) where: Base-Base interactions energy: -22.604 where: short stacking energy: -21.305 Base-Backbone interact. energy: -0.048 local terms energy: -24.799192 where: bonds (distance) C4'-P energy: -5.403 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -6.320 flat angles P-C4'-P energy: -3.167 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: 10, replica: 9 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -40.842989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.842989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.842989 (E_RNA) where: Base-Base interactions energy: -14.095 where: short stacking energy: -14.095 Base-Backbone interact. energy: -0.041 local terms energy: -26.706828 where: bonds (distance) C4'-P energy: -6.827 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.241 flat angles P-C4'-P energy: -2.423 tors. eta vs tors. theta energy: -1.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -70.883971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.883971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.883971 (E_RNA) where: Base-Base interactions energy: -31.660 where: short stacking energy: -31.660 Base-Backbone interact. energy: -0.000 local terms energy: -39.224044 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.807 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -8.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -66.249212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.249212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.249212 (E_RNA) where: Base-Base interactions energy: -32.859 where: short stacking energy: -30.412 Base-Backbone interact. energy: -0.615 local terms energy: -32.775602 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -6.870 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -1.945 tors. eta vs tors. theta energy: -9.195 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: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -59.115454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.115454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.115454 (E_RNA) where: Base-Base interactions energy: -27.359 where: short stacking energy: -27.359 Base-Backbone interact. energy: -0.005 local terms energy: -31.751214 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -4.529 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: 4, replica: 4 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -47.277641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.277641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.277641 (E_RNA) where: Base-Base interactions energy: -17.218 where: short stacking energy: -17.040 Base-Backbone interact. energy: 0.259 local terms energy: -30.318835 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -6.913 flat angles P-C4'-P energy: -6.678 tors. eta vs tors. theta energy: -1.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -59.855734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.855734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.855734 (E_RNA) where: Base-Base interactions energy: -25.911 where: short stacking energy: -25.911 Base-Backbone interact. energy: -0.003 local terms energy: -33.941157 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -6.076 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: 6, replica: 8 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -50.132042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.132042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.132042 (E_RNA) where: Base-Base interactions energy: -26.771 where: short stacking energy: -19.722 Base-Backbone interact. energy: -0.015 local terms energy: -23.346581 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -5.733 flat angles P-C4'-P energy: -6.659 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: 7, replica: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -44.210384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.210384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.210384 (E_RNA) where: Base-Base interactions energy: -18.856 where: short stacking energy: -18.856 Base-Backbone interact. energy: -0.005 local terms energy: -25.349085 where: bonds (distance) C4'-P energy: -4.276 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -3.092 tors. eta vs tors. theta energy: -5.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -44.927126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.927126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.927126 (E_RNA) where: Base-Base interactions energy: -13.748 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.076 local terms energy: -31.102868 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.099 flat angles P-C4'-P energy: -5.024 tors. eta vs tors. theta energy: -4.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -39.744891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.744891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.744891 (E_RNA) where: Base-Base interactions energy: -13.031 where: short stacking energy: -13.031 Base-Backbone interact. energy: -0.100 local terms energy: -26.614065 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.220 flat angles P-C4'-P energy: -1.623 tors. eta vs tors. theta energy: -2.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -49.226943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.226943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.226943 (E_RNA) where: Base-Base interactions energy: -20.659 where: short stacking energy: -20.659 Base-Backbone interact. energy: -0.218 local terms energy: -28.349535 where: bonds (distance) C4'-P energy: -5.768 bonds (distance) P-C4' energy: -6.644 flat angles C4'-P-C4' energy: -6.234 flat angles P-C4'-P energy: -5.262 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: 7 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -66.098804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.098804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.098804 (E_RNA) where: Base-Base interactions energy: -29.999 where: short stacking energy: -29.999 Base-Backbone interact. energy: -0.000 local terms energy: -36.099750 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -7.793 flat angles P-C4'-P energy: -4.669 tors. eta vs tors. theta energy: -7.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -56.025865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.025865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.025865 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -23.741 Base-Backbone interact. energy: -0.104 local terms energy: -32.022158 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -4.886 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: 3, replica: 10 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -68.740325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.740325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.740325 (E_RNA) where: Base-Base interactions energy: -28.638 where: short stacking energy: -28.638 Base-Backbone interact. energy: -0.000 local terms energy: -40.102691 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.596 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -11.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -55.721719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.721719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.721719 (E_RNA) where: Base-Base interactions energy: -25.385 where: short stacking energy: -15.665 Base-Backbone interact. energy: -0.008 local terms energy: -30.329046 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -3.312 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: 5, replica: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -51.127495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.127495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.127495 (E_RNA) where: Base-Base interactions energy: -22.729 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.101 local terms energy: -28.297999 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -4.654 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: 6, replica: 1 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -48.438435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.438435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.438435 (E_RNA) where: Base-Base interactions energy: -17.571 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.001 local terms energy: -30.866757 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -2.351 tors. eta vs tors. theta energy: -3.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -52.648534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.648534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.648534 (E_RNA) where: Base-Base interactions energy: -23.278 where: short stacking energy: -23.278 Base-Backbone interact. energy: -0.078 local terms energy: -29.292479 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -4.788 flat angles P-C4'-P energy: -5.306 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: 8, replica: 9 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -50.610420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.610420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.610420 (E_RNA) where: Base-Base interactions energy: -20.949 where: short stacking energy: -21.349 Base-Backbone interact. energy: 0.535 local terms energy: -30.196647 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.916 flat angles P-C4'-P energy: -3.091 tors. eta vs tors. theta energy: -5.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -47.635482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.635482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.635482 (E_RNA) where: Base-Base interactions energy: -15.093 where: short stacking energy: -15.093 Base-Backbone interact. energy: -0.191 local terms energy: -32.352272 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -5.986 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -40.983545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.983545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.983545 (E_RNA) where: Base-Base interactions energy: -10.425 where: short stacking energy: -10.425 Base-Backbone interact. energy: -0.086 local terms energy: -30.473136 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -4.379 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: 160 Temperature: 0.900000 Total energy: -57.215749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.215749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.215749 (E_RNA) where: Base-Base interactions energy: -25.041 where: short stacking energy: -23.870 Base-Backbone interact. energy: -0.031 local terms energy: -32.144127 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.747 flat angles P-C4'-P energy: -5.593 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: 2, replica: 7 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -57.039440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.039440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.039440 (E_RNA) where: Base-Base interactions energy: -21.885 where: short stacking energy: -21.885 Base-Backbone interact. energy: -0.000 local terms energy: -35.154771 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -8.262 flat angles P-C4'-P energy: -5.876 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: 3, replica: 10 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -60.462050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.462050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.462050 (E_RNA) where: Base-Base interactions energy: -26.357 where: short stacking energy: -26.357 Base-Backbone interact. energy: -0.002 local terms energy: -34.102690 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -3.963 tors. eta vs tors. theta energy: -8.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -64.557898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.557898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.557898 (E_RNA) where: Base-Base interactions energy: -33.813 where: short stacking energy: -21.925 Base-Backbone interact. energy: -0.333 local terms energy: -30.411602 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -7.227 flat angles P-C4'-P energy: -3.223 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: 1 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -55.249520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.249520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.249520 (E_RNA) where: Base-Base interactions energy: -25.982 where: short stacking energy: -25.982 Base-Backbone interact. energy: -0.000 local terms energy: -29.267793 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -2.331 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: 6, replica: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -54.737579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.737579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.737579 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -24.022 Base-Backbone interact. energy: -0.001 local terms energy: -30.715142 where: bonds (distance) C4'-P energy: -4.532 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -4.203 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: 7, replica: 8 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -62.639297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.639297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.639297 (E_RNA) where: Base-Base interactions energy: -29.441 where: short stacking energy: -19.768 Base-Backbone interact. energy: -0.000 local terms energy: -33.197920 where: bonds (distance) C4'-P energy: -6.024 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -6.290 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: 8, replica: 9 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -41.097548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.097548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.097548 (E_RNA) where: Base-Base interactions energy: -12.166 where: short stacking energy: -12.166 Base-Backbone interact. energy: -0.025 local terms energy: -28.906435 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.480 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -1.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -48.064629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.064629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.064629 (E_RNA) where: Base-Base interactions energy: -18.185 where: short stacking energy: -17.859 Base-Backbone interact. energy: -0.011 local terms energy: -29.868801 where: bonds (distance) C4'-P energy: -7.099 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -5.094 tors. eta vs tors. theta energy: -4.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -59.578189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.578189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.578189 (E_RNA) where: Base-Base interactions energy: -38.033 where: short stacking energy: -20.748 Base-Backbone interact. energy: -0.032 local terms energy: -21.513923 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -5.825 flat angles P-C4'-P energy: -0.624 tors. eta vs tors. theta energy: -3.029 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: 3 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -69.989559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.989559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.989559 (E_RNA) where: Base-Base interactions energy: -32.944 where: short stacking energy: -32.944 Base-Backbone interact. energy: -0.000 local terms energy: -37.045477 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -5.932 tors. eta vs tors. theta energy: -9.504 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: 161 Temperature: 0.950000 Total energy: -62.574995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.574995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.574995 (E_RNA) where: Base-Base interactions energy: -27.171 where: short stacking energy: -27.171 Base-Backbone interact. energy: -0.014 local terms energy: -35.389639 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.692 flat angles P-C4'-P energy: -4.727 tors. eta vs tors. theta energy: -7.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -51.451978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.451978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.451978 (E_RNA) where: Base-Base interactions energy: -19.548 where: short stacking energy: -19.548 Base-Backbone interact. energy: -0.086 local terms energy: -31.818093 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.653 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -62.539666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.539666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.539666 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -26.511 Base-Backbone interact. energy: -0.001 local terms energy: -36.027981 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.015 flat angles P-C4'-P energy: -5.830 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: 5, replica: 1 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -51.888683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.888683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.888683 (E_RNA) where: Base-Base interactions energy: -15.599 where: short stacking energy: -15.599 Base-Backbone interact. energy: -0.024 local terms energy: -36.266386 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.597 flat angles P-C4'-P energy: -5.984 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: 6, replica: 8 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -51.526455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.526455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.526455 (E_RNA) where: Base-Base interactions energy: -18.795 where: short stacking energy: -18.795 Base-Backbone interact. energy: -0.005 local terms energy: -32.726770 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -2.612 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: 4 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -53.330790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.330790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.330790 (E_RNA) where: Base-Base interactions energy: -21.298 where: short stacking energy: -20.138 Base-Backbone interact. energy: -0.044 local terms energy: -31.988143 where: bonds (distance) C4'-P energy: -7.886 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.122 flat angles P-C4'-P energy: -3.463 tors. eta vs tors. theta energy: -3.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -52.617494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.617494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.617494 (E_RNA) where: Base-Base interactions energy: -22.403 where: short stacking energy: -21.182 Base-Backbone interact. energy: -0.009 local terms energy: -30.205923 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -6.313 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -43.086142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.086142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.086142 (E_RNA) where: Base-Base interactions energy: -13.456 where: short stacking energy: -13.456 Base-Backbone interact. energy: -0.000 local terms energy: -29.629634 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -6.155 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -6.047 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: 10, replica: 5 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -40.840499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.840499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.840499 (E_RNA) where: Base-Base interactions energy: -12.456 where: short stacking energy: -12.456 Base-Backbone interact. energy: -0.000 local terms energy: -28.384589 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -1.136 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: 10 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -63.284834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.284834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.284834 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -31.489 Base-Backbone interact. energy: -0.000 local terms energy: -31.796104 where: bonds (distance) C4'-P energy: -4.836 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.570 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -73.135447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.135447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.135447 (E_RNA) where: Base-Base interactions energy: -40.621 where: short stacking energy: -32.099 Base-Backbone interact. energy: -0.004 local terms energy: -32.510583 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -6.937 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -3.981 tors. eta vs tors. theta energy: -7.923 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: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -56.626021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.626021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.626021 (E_RNA) where: Base-Base interactions energy: -17.138 where: short stacking energy: -17.138 Base-Backbone interact. energy: -0.040 local terms energy: -39.447703 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.441 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -56.095750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.095750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.095750 (E_RNA) where: Base-Base interactions energy: -23.244 where: short stacking energy: -23.244 Base-Backbone interact. energy: -0.102 local terms energy: -32.750454 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.445 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -49.463137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.463137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.463137 (E_RNA) where: Base-Base interactions energy: -19.872 where: short stacking energy: -19.872 Base-Backbone interact. energy: 0.032 local terms energy: -29.623300 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.520 tors. eta vs tors. theta energy: -1.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -53.957971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.957971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.957971 (E_RNA) where: Base-Base interactions energy: -19.679 where: short stacking energy: -18.561 Base-Backbone interact. energy: 1.387 local terms energy: -35.666191 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.267 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -5.457 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: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -42.948679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.948679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.948679 (E_RNA) where: Base-Base interactions energy: -15.735 where: short stacking energy: -13.099 Base-Backbone interact. energy: -0.182 local terms energy: -27.031139 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: 1.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -46.562059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.562059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.562059 (E_RNA) where: Base-Base interactions energy: -16.878 where: short stacking energy: -16.878 Base-Backbone interact. energy: -0.014 local terms energy: -29.670009 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -2.818 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -5.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -38.280736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.280736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.280736 (E_RNA) where: Base-Base interactions energy: -8.357 where: short stacking energy: -7.824 Base-Backbone interact. energy: -0.061 local terms energy: -29.862650 where: bonds (distance) C4'-P energy: -7.105 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.436 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: 10, replica: 9 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -46.072550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.072550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.072550 (E_RNA) where: Base-Base interactions energy: -23.208 where: short stacking energy: -23.208 Base-Backbone interact. energy: -0.031 local terms energy: -22.833311 where: bonds (distance) C4'-P energy: -3.503 bonds (distance) P-C4' energy: -4.438 flat angles C4'-P-C4' energy: -6.374 flat angles P-C4'-P energy: -4.344 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: 1, replica: 10 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -67.483440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.483440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.483440 (E_RNA) where: Base-Base interactions energy: -30.866 where: short stacking energy: -30.866 Base-Backbone interact. energy: -0.000 local terms energy: -36.617511 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -5.875 tors. eta vs tors. theta energy: -7.028 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: 2, replica: 6 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -62.957505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.957505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.957505 (E_RNA) where: Base-Base interactions energy: -27.408 where: short stacking energy: -25.461 Base-Backbone interact. energy: -0.977 local terms energy: -34.572506 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: -6.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -51.242519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.242519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.242519 (E_RNA) where: Base-Base interactions energy: -22.052 where: short stacking energy: -11.055 Base-Backbone interact. energy: -0.017 local terms energy: -29.174040 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -5.049 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -3.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -50.235654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.235654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.235654 (E_RNA) where: Base-Base interactions energy: -19.364 where: short stacking energy: -19.364 Base-Backbone interact. energy: -0.000 local terms energy: -30.871402 where: bonds (distance) C4'-P energy: -3.370 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -4.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -58.235894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.235894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.235894 (E_RNA) where: Base-Base interactions energy: -29.235 where: short stacking energy: -20.493 Base-Backbone interact. energy: -0.002 local terms energy: -28.998586 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -7.292 flat angles P-C4'-P energy: -3.972 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: 6, replica: 2 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -46.391828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.391828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.391828 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -12.725 Base-Backbone interact. energy: -0.062 local terms energy: -32.624164 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -7.042 tors. eta vs tors. theta energy: -1.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -43.953330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.953330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.953330 (E_RNA) where: Base-Base interactions energy: -18.462 where: short stacking energy: -17.766 Base-Backbone interact. energy: -0.042 local terms energy: -25.450116 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -2.620 flat angles P-C4'-P energy: -5.700 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: 8, replica: 4 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -48.530420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.530420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.530420 (E_RNA) where: Base-Base interactions energy: -19.430 where: short stacking energy: -19.430 Base-Backbone interact. energy: -0.023 local terms energy: -29.077466 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -5.554 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: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -45.352567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.352567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.352567 (E_RNA) where: Base-Base interactions energy: -20.562 where: short stacking energy: -14.870 Base-Backbone interact. energy: -0.010 local terms energy: -24.780867 where: bonds (distance) C4'-P energy: -0.645 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -38.712786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.712786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.712786 (E_RNA) where: Base-Base interactions energy: -12.931 where: short stacking energy: -12.931 Base-Backbone interact. energy: -0.002 local terms energy: -25.780495 where: bonds (distance) C4'-P energy: -4.631 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -2.098 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: 1, replica: 10 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -51.721609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.721609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.721609 (E_RNA) where: Base-Base interactions energy: -17.723 where: short stacking energy: -13.644 Base-Backbone interact. energy: -0.065 local terms energy: -33.934116 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.111 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -68.654220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.654220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.654220 (E_RNA) where: Base-Base interactions energy: -33.182 where: short stacking energy: -24.822 Base-Backbone interact. energy: -0.001 local terms energy: -35.470319 where: bonds (distance) C4'-P energy: -5.600 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -6.506 tors. eta vs tors. theta energy: -7.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -56.209876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.209876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.209876 (E_RNA) where: Base-Base interactions energy: -21.069 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.000 local terms energy: -35.141295 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.781 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -58.330814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.330814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.330814 (E_RNA) where: Base-Base interactions energy: -24.160 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.001 local terms energy: -34.169557 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.778 flat angles C4'-P-C4' energy: -7.635 flat angles P-C4'-P energy: -6.689 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: 5, replica: 2 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -57.668513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.668513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.668513 (E_RNA) where: Base-Base interactions energy: -26.854 where: short stacking energy: -26.567 Base-Backbone interact. energy: -0.141 local terms energy: -30.673152 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -4.115 tors. eta vs tors. theta energy: -7.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -54.653139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.653139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.653139 (E_RNA) where: Base-Base interactions energy: -22.614 where: short stacking energy: -22.614 Base-Backbone interact. energy: -0.001 local terms energy: -32.038292 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -4.092 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -5.721 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -47.901303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.901303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.901303 (E_RNA) where: Base-Base interactions energy: -18.787 where: short stacking energy: -11.655 Base-Backbone interact. energy: -0.000 local terms energy: -29.113735 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.131 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: 8, replica: 1 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -45.137056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.137056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.137056 (E_RNA) where: Base-Base interactions energy: -23.453 where: short stacking energy: -15.044 Base-Backbone interact. energy: -0.003 local terms energy: -21.681681 where: bonds (distance) C4'-P energy: -3.408 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.458 flat angles P-C4'-P energy: -1.734 tors. eta vs tors. theta energy: -0.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -56.082139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.082139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.082139 (E_RNA) where: Base-Base interactions energy: -21.882 where: short stacking energy: -19.631 Base-Backbone interact. energy: -0.099 local terms energy: -34.101819 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -7.009 tors. eta vs tors. theta energy: -5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -43.246967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.246967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.246967 (E_RNA) where: Base-Base interactions energy: -22.222 where: short stacking energy: -16.491 Base-Backbone interact. energy: -0.065 local terms energy: -20.960575 where: bonds (distance) C4'-P energy: -3.693 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -3.505 flat angles P-C4'-P energy: -4.209 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: 1, replica: 10 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -73.690588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.690588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.690588 (E_RNA) where: Base-Base interactions energy: -37.708 where: short stacking energy: -23.995 Base-Backbone interact. energy: -0.002 local terms energy: -35.980046 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -6.094 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: 2, replica: 8 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -62.182810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.182810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.182810 (E_RNA) where: Base-Base interactions energy: -31.860 where: short stacking energy: -24.646 Base-Backbone interact. energy: -0.032 local terms energy: -30.290834 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -4.084 flat angles P-C4'-P energy: -5.890 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: 3, replica: 6 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -57.799907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.799907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.799907 (E_RNA) where: Base-Base interactions energy: -23.430 where: short stacking energy: -23.430 Base-Backbone interact. energy: -0.000 local terms energy: -34.369500 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -4.276 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: 4, replica: 2 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -55.949836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.949836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.949836 (E_RNA) where: Base-Base interactions energy: -23.792 where: short stacking energy: -23.792 Base-Backbone interact. energy: -0.014 local terms energy: -32.143779 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -4.116 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: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -49.748837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.748837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.748837 (E_RNA) where: Base-Base interactions energy: -18.749 where: short stacking energy: -18.749 Base-Backbone interact. energy: -0.098 local terms energy: -30.901891 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -1.123 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: 6, replica: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -43.956629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.956629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.956629 (E_RNA) where: Base-Base interactions energy: -15.804 where: short stacking energy: -15.804 Base-Backbone interact. energy: -0.021 local terms energy: -28.131198 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -4.377 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -55.043011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.043011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.043011 (E_RNA) where: Base-Base interactions energy: -20.636 where: short stacking energy: -20.636 Base-Backbone interact. energy: -0.000 local terms energy: -34.407362 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.663 flat angles P-C4'-P energy: -4.518 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: 8, replica: 9 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -38.302622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.302622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.302622 (E_RNA) where: Base-Base interactions energy: -10.999 where: short stacking energy: -10.999 Base-Backbone interact. energy: -0.099 local terms energy: -27.204320 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -6.232 tors. eta vs tors. theta energy: 0.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -44.764314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.764314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.764314 (E_RNA) where: Base-Base interactions energy: -16.993 where: short stacking energy: -15.563 Base-Backbone interact. energy: -0.065 local terms energy: -27.706579 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -3.153 tors. eta vs tors. theta energy: -1.639 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: 10, replica: 5 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -51.090018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.090018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.090018 (E_RNA) where: Base-Base interactions energy: -21.918 where: short stacking energy: -21.918 Base-Backbone interact. energy: -0.012 local terms energy: -29.160294 where: bonds (distance) C4'-P energy: -7.485 bonds (distance) P-C4' energy: -7.054 flat angles C4'-P-C4' energy: -7.182 flat angles P-C4'-P energy: -3.063 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -79.714678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.714678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.714678 (E_RNA) where: Base-Base interactions energy: -47.158 where: short stacking energy: -27.543 Base-Backbone interact. energy: -0.014 local terms energy: -32.543276 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -67.350913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.350913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.350913 (E_RNA) where: Base-Base interactions energy: -37.226 where: short stacking energy: -27.348 Base-Backbone interact. energy: -0.011 local terms energy: -30.113529 where: bonds (distance) C4'-P energy: -5.638 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -5.021 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: 3, replica: 2 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -62.566313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.566313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.566313 (E_RNA) where: Base-Base interactions energy: -30.545 where: short stacking energy: -30.221 Base-Backbone interact. energy: -0.000 local terms energy: -32.020577 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -3.280 flat angles P-C4'-P energy: -6.227 tors. eta vs tors. theta energy: -7.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -55.424417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.424417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.424417 (E_RNA) where: Base-Base interactions energy: -29.123 where: short stacking energy: -11.613 Base-Backbone interact. energy: -0.446 local terms energy: -25.855330 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.339 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: 1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -41.144742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.144742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.144742 (E_RNA) where: Base-Base interactions energy: -17.683 where: short stacking energy: -16.797 Base-Backbone interact. energy: 0.395 local terms energy: -23.856941 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -3.397 flat angles P-C4'-P energy: -4.474 tors. eta vs tors. theta energy: -2.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -65.439768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.439768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.439768 (E_RNA) where: Base-Base interactions energy: -28.655 where: short stacking energy: -28.923 Base-Backbone interact. energy: -0.035 local terms energy: -36.750133 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -50.124335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.124335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.124335 (E_RNA) where: Base-Base interactions energy: -22.689 where: short stacking energy: -14.702 Base-Backbone interact. energy: -0.092 local terms energy: -27.343593 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -3.371 flat angles P-C4'-P energy: -4.709 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: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -50.932478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.932478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.932478 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -18.760 Base-Backbone interact. energy: -0.012 local terms energy: -32.160648 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.540 flat angles P-C4'-P energy: -4.001 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: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -51.442399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.442399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.442399 (E_RNA) where: Base-Base interactions energy: -19.936 where: short stacking energy: -19.936 Base-Backbone interact. energy: -0.026 local terms energy: -31.480244 where: bonds (distance) C4'-P energy: -6.815 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -2.929 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: 1 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -43.696587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.696587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.696587 (E_RNA) where: Base-Base interactions energy: -15.830 where: short stacking energy: -15.830 Base-Backbone interact. energy: -0.050 local terms energy: -27.816820 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -2.563 tors. eta vs tors. theta energy: -1.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -79.853182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.853182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.853182 (E_RNA) where: Base-Base interactions energy: -46.340 where: short stacking energy: -24.281 Base-Backbone interact. energy: 0.606 local terms energy: -34.119052 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.117 flat angles P-C4'-P energy: -5.345 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: 2, replica: 2 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -64.959340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.959340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.959340 (E_RNA) where: Base-Base interactions energy: -26.278 where: short stacking energy: -26.278 Base-Backbone interact. energy: -0.000 local terms energy: -38.681145 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.065 flat angles P-C4'-P energy: -5.291 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -72.281017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.281017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.281017 (E_RNA) where: Base-Base interactions energy: -39.742 where: short stacking energy: -21.833 Base-Backbone interact. energy: -0.165 local terms energy: -32.373654 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.614 flat angles P-C4'-P energy: -6.208 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: 4 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -58.845664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.845664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.845664 (E_RNA) where: Base-Base interactions energy: -23.663 where: short stacking energy: -23.663 Base-Backbone interact. energy: -0.004 local terms energy: -35.178390 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -4.309 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: 5, replica: 6 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -56.941703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.941703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.941703 (E_RNA) where: Base-Base interactions energy: -24.491 where: short stacking energy: -23.253 Base-Backbone interact. energy: -0.006 local terms energy: -32.443822 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.387 flat angles P-C4'-P energy: -5.427 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: 3 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -50.384833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.384833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.384833 (E_RNA) where: Base-Base interactions energy: -23.916 where: short stacking energy: -23.916 Base-Backbone interact. energy: -0.001 local terms energy: -26.468005 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.458 flat angles P-C4'-P energy: -1.047 tors. eta vs tors. theta energy: -5.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -52.170055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.170055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.170055 (E_RNA) where: Base-Base interactions energy: -24.048 where: short stacking energy: -16.537 Base-Backbone interact. energy: -0.003 local terms energy: -28.119293 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -5.705 flat angles C4'-P-C4' energy: -5.987 flat angles P-C4'-P energy: -4.940 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: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -44.430454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.430454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.430454 (E_RNA) where: Base-Base interactions energy: -17.348 where: short stacking energy: -11.889 Base-Backbone interact. energy: 2.025 local terms energy: -29.108120 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -6.382 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: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -39.862970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.862970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.862970 (E_RNA) where: Base-Base interactions energy: -10.708 where: short stacking energy: -10.708 Base-Backbone interact. energy: -0.010 local terms energy: -29.145217 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.115 flat angles C4'-P-C4' energy: -4.985 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -47.443962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.443962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.443962 (E_RNA) where: Base-Base interactions energy: -16.887 where: short stacking energy: -16.887 Base-Backbone interact. energy: -0.031 local terms energy: -30.524973 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -4.938 tors. eta vs tors. theta energy: -4.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -72.075132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.075132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.075132 (E_RNA) where: Base-Base interactions energy: -40.616 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.040 local terms energy: -31.419454 where: bonds (distance) C4'-P energy: -7.716 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -5.103 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: 2 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -62.890582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.890582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.890582 (E_RNA) where: Base-Base interactions energy: -26.097 where: short stacking energy: -26.097 Base-Backbone interact. energy: -0.046 local terms energy: -36.748182 where: bonds (distance) C4'-P energy: -6.855 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -9.200 flat angles P-C4'-P energy: -7.146 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: 3, replica: 4 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -66.555478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.555478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.555478 (E_RNA) where: Base-Base interactions energy: -32.285 where: short stacking energy: -32.285 Base-Backbone interact. energy: -0.000 local terms energy: -34.270234 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -5.535 flat angles P-C4'-P energy: -3.245 tors. eta vs tors. theta energy: -11.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -55.027130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.027130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.027130 (E_RNA) where: Base-Base interactions energy: -24.143 where: short stacking energy: -24.143 Base-Backbone interact. energy: -0.001 local terms energy: -30.882891 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -7.616 flat angles P-C4'-P energy: -6.491 tors. eta vs tors. theta energy: -3.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -57.179204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.179204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.179204 (E_RNA) where: Base-Base interactions energy: -24.629 where: short stacking energy: -21.880 Base-Backbone interact. energy: -0.043 local terms energy: -32.507745 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.232 flat angles P-C4'-P energy: -3.746 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: 6, replica: 6 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -51.463220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.463220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.463220 (E_RNA) where: Base-Base interactions energy: -17.448 where: short stacking energy: -17.448 Base-Backbone interact. energy: -0.003 local terms energy: -34.012379 where: bonds (distance) C4'-P energy: -5.138 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -5.952 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: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -54.881097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.881097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.881097 (E_RNA) where: Base-Base interactions energy: -20.240 where: short stacking energy: -13.195 Base-Backbone interact. energy: -0.001 local terms energy: -34.640118 where: bonds (distance) C4'-P energy: -5.696 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -8.520 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: 9 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -40.213048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.213048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.213048 (E_RNA) where: Base-Base interactions energy: -15.414 where: short stacking energy: -11.185 Base-Backbone interact. energy: -0.094 local terms energy: -24.704831 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -3.344 tors. eta vs tors. theta energy: 2.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -45.867770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.867770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.867770 (E_RNA) where: Base-Base interactions energy: -14.332 where: short stacking energy: -14.332 Base-Backbone interact. energy: -0.184 local terms energy: -31.352415 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -6.789 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: 10, replica: 7 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -42.627597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.627597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.627597 (E_RNA) where: Base-Base interactions energy: -17.376 where: short stacking energy: -17.376 Base-Backbone interact. energy: -0.172 local terms energy: -25.079608 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -3.734 flat angles C4'-P-C4' energy: -7.493 flat angles P-C4'-P energy: -4.548 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: 1, replica: 10 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -72.150925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.150925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.150925 (E_RNA) where: Base-Base interactions energy: -32.924 where: short stacking energy: -32.924 Base-Backbone interact. energy: -0.000 local terms energy: -39.226521 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -4.849 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: 2, replica: 2 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -59.206889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.206889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.206889 (E_RNA) where: Base-Base interactions energy: -26.590 where: short stacking energy: -26.346 Base-Backbone interact. energy: -0.003 local terms energy: -32.613865 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.218 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -7.558 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: 3, replica: 4 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -58.742236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.742236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.742236 (E_RNA) where: Base-Base interactions energy: -32.842 where: short stacking energy: -18.619 Base-Backbone interact. energy: -0.603 local terms energy: -25.297596 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -70.925134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.925134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.925134 (E_RNA) where: Base-Base interactions energy: -40.104 where: short stacking energy: -22.355 Base-Backbone interact. energy: -0.001 local terms energy: -30.820712 where: bonds (distance) C4'-P energy: -5.978 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.306 flat angles P-C4'-P energy: -3.273 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: 5, replica: 8 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -57.667019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.667019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.667019 (E_RNA) where: Base-Base interactions energy: -24.689 where: short stacking energy: -24.689 Base-Backbone interact. energy: 0.040 local terms energy: -33.018047 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -6.061 tors. eta vs tors. theta energy: -4.589 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: 5 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -54.973107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.973107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.973107 (E_RNA) where: Base-Base interactions energy: -27.059 where: short stacking energy: -27.059 Base-Backbone interact. energy: -0.006 local terms energy: -27.908030 where: bonds (distance) C4'-P energy: -6.028 bonds (distance) P-C4' energy: -4.170 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -2.145 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -48.492264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.492264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.492264 (E_RNA) where: Base-Base interactions energy: -20.871 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.002 local terms energy: -27.620058 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -6.372 flat angles P-C4'-P energy: -5.142 tors. eta vs tors. theta energy: -2.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -48.669158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.669158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.669158 (E_RNA) where: Base-Base interactions energy: -20.360 where: short stacking energy: -20.360 Base-Backbone interact. energy: -0.043 local terms energy: -28.266459 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -0.972 tors. eta vs tors. theta energy: -7.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -50.340903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.340903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.340903 (E_RNA) where: Base-Base interactions energy: -23.963 where: short stacking energy: -14.495 Base-Backbone interact. energy: 0.288 local terms energy: -26.666322 where: bonds (distance) C4'-P energy: -7.956 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.701 flat angles P-C4'-P energy: -2.167 tors. eta vs tors. theta energy: -2.871 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: 7 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -45.787361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.787361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.787361 (E_RNA) where: Base-Base interactions energy: -24.789 where: short stacking energy: -18.008 Base-Backbone interact. energy: 2.408 local terms energy: -23.405931 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -5.479 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: 0.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -66.934420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.934420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.934420 (E_RNA) where: Base-Base interactions energy: -30.841 where: short stacking energy: -30.841 Base-Backbone interact. energy: -0.000 local terms energy: -36.092684 where: bonds (distance) C4'-P energy: -6.900 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -4.851 flat angles P-C4'-P energy: -7.544 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: 2, replica: 10 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -72.117442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.117442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.117442 (E_RNA) where: Base-Base interactions energy: -38.078 where: short stacking energy: -22.380 Base-Backbone interact. energy: -0.005 local terms energy: -34.034402 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.345 flat angles P-C4'-P energy: -5.334 tors. eta vs tors. theta energy: -5.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -79.625818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.625818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.625818 (E_RNA) where: Base-Base interactions energy: -42.711 where: short stacking energy: -26.933 Base-Backbone interact. energy: -0.000 local terms energy: -36.914810 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.430 flat angles P-C4'-P energy: -4.703 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: 170 Temperature: 1.050000 Total energy: -51.372946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.372946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.372946 (E_RNA) where: Base-Base interactions energy: -23.190 where: short stacking energy: -18.108 Base-Backbone interact. energy: -0.035 local terms energy: -28.147988 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.032 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -2.187 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: 170 Temperature: 1.100000 Total energy: -59.438969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.438969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.438969 (E_RNA) where: Base-Base interactions energy: -24.108 where: short stacking energy: -23.513 Base-Backbone interact. energy: -0.000 local terms energy: -35.331247 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -4.893 tors. eta vs tors. theta energy: -7.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -50.727842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.727842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.727842 (E_RNA) where: Base-Base interactions energy: -19.318 where: short stacking energy: -19.318 Base-Backbone interact. energy: -0.006 local terms energy: -31.403883 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.268 flat angles P-C4'-P energy: -5.500 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -41.215048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.215048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.215048 (E_RNA) where: Base-Base interactions energy: -14.448 where: short stacking energy: -14.448 Base-Backbone interact. energy: 1.379 local terms energy: -28.146220 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.143 flat angles P-C4'-P energy: -5.107 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: 8, replica: 6 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -44.609493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.609493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.609493 (E_RNA) where: Base-Base interactions energy: -12.024 where: short stacking energy: -12.024 Base-Backbone interact. energy: -0.002 local terms energy: -32.583552 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.672 flat angles P-C4'-P energy: -6.051 tors. eta vs tors. theta energy: -4.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -45.458875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.458875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.458875 (E_RNA) where: Base-Base interactions energy: -23.075 where: short stacking energy: -17.388 Base-Backbone interact. energy: -0.096 local terms energy: -22.288297 where: bonds (distance) C4'-P energy: -6.914 bonds (distance) P-C4' energy: -6.947 flat angles C4'-P-C4' energy: -6.383 flat angles P-C4'-P energy: -1.092 tors. eta vs tors. theta energy: -0.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -40.944981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.944981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.944981 (E_RNA) where: Base-Base interactions energy: -13.434 where: short stacking energy: -13.434 Base-Backbone interact. energy: -0.008 local terms energy: -27.503509 where: bonds (distance) C4'-P energy: -5.862 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -7.555 flat angles P-C4'-P energy: -2.312 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: 2 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -68.731005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.731005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.731005 (E_RNA) where: Base-Base interactions energy: -33.360 where: short stacking energy: -22.090 Base-Backbone interact. energy: -0.001 local terms energy: -35.369789 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -5.074 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: 2, replica: 10 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -69.866967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.866967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.866967 (E_RNA) where: Base-Base interactions energy: -31.787 where: short stacking energy: -31.181 Base-Backbone interact. energy: -0.000 local terms energy: -38.080247 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -8.706 flat angles P-C4'-P energy: -4.859 tors. eta vs tors. theta energy: -10.006 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: 3 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -57.478544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.478544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.478544 (E_RNA) where: Base-Base interactions energy: -25.149 where: short stacking energy: -25.149 Base-Backbone interact. energy: -0.001 local terms energy: -32.329154 where: bonds (distance) C4'-P energy: -5.684 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.702 flat angles P-C4'-P energy: -5.850 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -59.084410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.084410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.084410 (E_RNA) where: Base-Base interactions energy: -32.961 where: short stacking energy: -8.669 Base-Backbone interact. energy: -0.148 local terms energy: -25.975372 where: bonds (distance) C4'-P energy: -8.399 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -4.528 flat angles P-C4'-P energy: -3.700 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: 5, replica: 4 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -52.180756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.180756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.180756 (E_RNA) where: Base-Base interactions energy: -22.282 where: short stacking energy: -22.282 Base-Backbone interact. energy: -0.100 local terms energy: -29.798761 where: bonds (distance) C4'-P energy: -5.456 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -3.800 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: 6, replica: 1 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -53.807569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.807569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.807569 (E_RNA) where: Base-Base interactions energy: -24.949 where: short stacking energy: -20.008 Base-Backbone interact. energy: -0.001 local terms energy: -28.856627 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -7.533 flat angles C4'-P-C4' energy: -4.935 flat angles P-C4'-P energy: -5.316 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: 7, replica: 8 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -44.343401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.343401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.343401 (E_RNA) where: Base-Base interactions energy: -15.421 where: short stacking energy: -15.421 Base-Backbone interact. energy: -0.003 local terms energy: -28.919703 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -7.371 flat angles P-C4'-P energy: -4.360 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: 8, replica: 6 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -50.746717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.746717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.746717 (E_RNA) where: Base-Base interactions energy: -21.805 where: short stacking energy: -14.784 Base-Backbone interact. energy: -0.001 local terms energy: -28.940775 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -4.455 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -5.849 tors. eta vs tors. theta energy: -1.742 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: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -37.816200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.816200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.816200 (E_RNA) where: Base-Base interactions energy: -13.118 where: short stacking energy: -13.118 Base-Backbone interact. energy: -0.235 local terms energy: -24.463435 where: bonds (distance) C4'-P energy: -4.824 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -5.087 flat angles P-C4'-P energy: -5.518 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: 171 Temperature: 1.350000 Total energy: -45.112909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.112909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.112909 (E_RNA) where: Base-Base interactions energy: -15.500 where: short stacking energy: -15.239 Base-Backbone interact. energy: -0.182 local terms energy: -29.430577 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -5.076 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -3.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -72.340553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.340553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.340553 (E_RNA) where: Base-Base interactions energy: -36.526 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.001 local terms energy: -35.813488 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.974 flat angles P-C4'-P energy: -3.592 tors. eta vs tors. theta energy: -7.207 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: 2, replica: 2 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -64.940196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.940196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.940196 (E_RNA) where: Base-Base interactions energy: -27.824 where: short stacking energy: -27.824 Base-Backbone interact. energy: -0.009 local terms energy: -37.106777 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.785 flat angles P-C4'-P energy: -4.097 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: 3, replica: 5 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -61.232630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.232630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.232630 (E_RNA) where: Base-Base interactions energy: -24.263 where: short stacking energy: -24.379 Base-Backbone interact. energy: -0.208 local terms energy: -36.761753 where: bonds (distance) C4'-P energy: -7.555 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -4.489 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: 4, replica: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -57.920749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.920749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.920749 (E_RNA) where: Base-Base interactions energy: -22.235 where: short stacking energy: -22.235 Base-Backbone interact. energy: -0.000 local terms energy: -35.685508 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.689 flat angles C4'-P-C4' energy: -6.948 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -7.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -43.109821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.109821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.109821 (E_RNA) where: Base-Base interactions energy: -13.578 where: short stacking energy: -13.578 Base-Backbone interact. energy: -0.084 local terms energy: -29.447380 where: bonds (distance) C4'-P energy: -6.709 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.762 flat angles P-C4'-P energy: -5.570 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: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -55.610513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.610513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.610513 (E_RNA) where: Base-Base interactions energy: -27.306 where: short stacking energy: -22.567 Base-Backbone interact. energy: -0.001 local terms energy: -28.303344 where: bonds (distance) C4'-P energy: -4.674 bonds (distance) P-C4' energy: -6.526 flat angles C4'-P-C4' energy: -7.336 flat angles P-C4'-P energy: -4.016 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: 7, replica: 6 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -42.783399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.783399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.783399 (E_RNA) where: Base-Base interactions energy: -14.786 where: short stacking energy: -14.786 Base-Backbone interact. energy: -0.905 local terms energy: -27.092043 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -39.872244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.872244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.872244 (E_RNA) where: Base-Base interactions energy: -13.071 where: short stacking energy: -12.139 Base-Backbone interact. energy: -0.097 local terms energy: -26.704263 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.244 flat angles P-C4'-P energy: -6.577 tors. eta vs tors. theta energy: -0.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -46.419803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.419803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.419803 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -19.698 Base-Backbone interact. energy: -0.003 local terms energy: -26.718646 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -5.883 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -7.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -41.304109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.304109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.304109 (E_RNA) where: Base-Base interactions energy: -15.292 where: short stacking energy: -15.292 Base-Backbone interact. energy: -0.102 local terms energy: -25.910291 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -9.595 flat angles C4'-P-C4' energy: -7.067 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -80.960857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.960857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.960857 (E_RNA) where: Base-Base interactions energy: -43.074 where: short stacking energy: -27.926 Base-Backbone interact. energy: -0.002 local terms energy: -37.884427 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -5.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -67.527918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.527918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.527918 (E_RNA) where: Base-Base interactions energy: -29.720 where: short stacking energy: -27.578 Base-Backbone interact. energy: -0.002 local terms energy: -37.806390 where: bonds (distance) C4'-P energy: -7.609 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.485 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -9.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -57.664380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.664380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.664380 (E_RNA) where: Base-Base interactions energy: -23.408 where: short stacking energy: -23.408 Base-Backbone interact. energy: -0.008 local terms energy: -34.249242 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -5.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -58.707050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.707050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.707050 (E_RNA) where: Base-Base interactions energy: -27.285 where: short stacking energy: -25.660 Base-Backbone interact. energy: -0.030 local terms energy: -31.392040 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.590 flat angles P-C4'-P energy: -4.628 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: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -60.233910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.233910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.233910 (E_RNA) where: Base-Base interactions energy: -30.914 where: short stacking energy: -8.642 Base-Backbone interact. energy: -0.124 local terms energy: -29.195806 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: 0.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -49.065323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.065323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.065323 (E_RNA) where: Base-Base interactions energy: -18.026 where: short stacking energy: -18.026 Base-Backbone interact. energy: -0.005 local terms energy: -31.033967 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -3.704 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -51.322606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.322606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.322606 (E_RNA) where: Base-Base interactions energy: -19.311 where: short stacking energy: -19.311 Base-Backbone interact. energy: -0.196 local terms energy: -31.815498 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.100 flat angles P-C4'-P energy: -5.631 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: 8, replica: 9 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -43.327166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.327166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.327166 (E_RNA) where: Base-Base interactions energy: -16.820 where: short stacking energy: -16.820 Base-Backbone interact. energy: -0.011 local terms energy: -26.496342 where: bonds (distance) C4'-P energy: -5.916 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -6.406 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -44.249614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.249614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.249614 (E_RNA) where: Base-Base interactions energy: -12.316 where: short stacking energy: -12.316 Base-Backbone interact. energy: -0.000 local terms energy: -31.932821 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -2.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -38.466587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.466587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.466587 (E_RNA) where: Base-Base interactions energy: -11.677 where: short stacking energy: -8.241 Base-Backbone interact. energy: 0.764 local terms energy: -27.553877 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -4.438 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: 0.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -78.535188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.535188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.535188 (E_RNA) where: Base-Base interactions energy: -42.319 where: short stacking energy: -25.665 Base-Backbone interact. energy: -0.000 local terms energy: -36.215635 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.474 flat angles P-C4'-P energy: -5.152 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: 10 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -72.286795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.286795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.286795 (E_RNA) where: Base-Base interactions energy: -37.526 where: short stacking energy: -25.987 Base-Backbone interact. energy: -0.004 local terms energy: -34.756488 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -3.400 tors. eta vs tors. theta energy: -5.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -62.036941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.036941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.036941 (E_RNA) where: Base-Base interactions energy: -24.903 where: short stacking energy: -24.903 Base-Backbone interact. energy: -0.006 local terms energy: -37.127966 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -5.363 tors. eta vs tors. theta energy: -8.388 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: 2 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -52.340012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.340012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.340012 (E_RNA) where: Base-Base interactions energy: -19.592 where: short stacking energy: -19.592 Base-Backbone interact. energy: -0.000 local terms energy: -32.748179 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -63.128551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.128551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.128551 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -22.119 Base-Backbone interact. energy: -0.000 local terms energy: -41.009536 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -8.682 flat angles P-C4'-P energy: -6.503 tors. eta vs tors. theta energy: -7.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -59.378265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.378265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.378265 (E_RNA) where: Base-Base interactions energy: -26.523 where: short stacking energy: -18.951 Base-Backbone interact. energy: -0.003 local terms energy: -32.852420 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -48.426404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.426404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.426404 (E_RNA) where: Base-Base interactions energy: -14.178 where: short stacking energy: -14.178 Base-Backbone interact. energy: -0.020 local terms energy: -34.228846 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.286 tors. eta vs tors. theta energy: -6.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -48.591175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.591175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.591175 (E_RNA) where: Base-Base interactions energy: -17.623 where: short stacking energy: -17.431 Base-Backbone interact. energy: -0.050 local terms energy: -30.918577 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.572 flat angles P-C4'-P energy: -5.287 tors. eta vs tors. theta energy: -3.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -50.386332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.386332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.386332 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.075 local terms energy: -32.690544 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.315 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -5.129 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: 10, replica: 8 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -40.438528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.438528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.438528 (E_RNA) where: Base-Base interactions energy: -12.671 where: short stacking energy: -12.442 Base-Backbone interact. energy: -0.099 local terms energy: -27.668593 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -3.612 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -2.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -77.029747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.029747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.029747 (E_RNA) where: Base-Base interactions energy: -35.610 where: short stacking energy: -35.610 Base-Backbone interact. energy: -0.000 local terms energy: -41.419824 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.773 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -11.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -60.406869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.406869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.406869 (E_RNA) where: Base-Base interactions energy: -25.742 where: short stacking energy: -25.660 Base-Backbone interact. energy: -0.014 local terms energy: -34.651286 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.326 flat angles P-C4'-P energy: -5.100 tors. eta vs tors. theta energy: -5.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -59.617217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.617217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.617217 (E_RNA) where: Base-Base interactions energy: -28.044 where: short stacking energy: -28.044 Base-Backbone interact. energy: -0.034 local terms energy: -31.539105 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -3.331 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: 4, replica: 4 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -59.423149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.423149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.423149 (E_RNA) where: Base-Base interactions energy: -27.172 where: short stacking energy: -16.214 Base-Backbone interact. energy: -0.100 local terms energy: -32.151837 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -2.558 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: 5, replica: 2 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -54.304002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.304002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.304002 (E_RNA) where: Base-Base interactions energy: -24.503 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.000 local terms energy: -29.800453 where: bonds (distance) C4'-P energy: -5.592 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.203 flat angles P-C4'-P energy: -5.684 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: 6, replica: 9 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -52.069553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.069553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.069553 (E_RNA) where: Base-Base interactions energy: -30.625 where: short stacking energy: -9.555 Base-Backbone interact. energy: -0.471 local terms energy: -20.973715 where: bonds (distance) C4'-P energy: -3.680 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.448 flat angles P-C4'-P energy: -4.368 tors. eta vs tors. theta energy: 0.458 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: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -51.603099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.603099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.603099 (E_RNA) where: Base-Base interactions energy: -20.893 where: short stacking energy: -20.893 Base-Backbone interact. energy: -0.094 local terms energy: -30.616806 where: bonds (distance) C4'-P energy: -4.066 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -5.476 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: 7 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -42.085290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.085290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.085290 (E_RNA) where: Base-Base interactions energy: -10.600 where: short stacking energy: -8.868 Base-Backbone interact. energy: -0.142 local terms energy: -31.342802 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.208 flat angles P-C4'-P energy: -5.499 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: 9, replica: 6 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -43.815984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.815984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.815984 (E_RNA) where: Base-Base interactions energy: -13.221 where: short stacking energy: -13.221 Base-Backbone interact. energy: -0.096 local terms energy: -30.499135 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -43.510052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.510052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.510052 (E_RNA) where: Base-Base interactions energy: -16.825 where: short stacking energy: -16.825 Base-Backbone interact. energy: -0.005 local terms energy: -26.680161 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -2.451 tors. eta vs tors. theta energy: -4.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -65.764592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.764592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.764592 (E_RNA) where: Base-Base interactions energy: -29.848 where: short stacking energy: -29.270 Base-Backbone interact. energy: -0.000 local terms energy: -35.916947 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -7.478 flat angles P-C4'-P energy: -6.444 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: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -76.105916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.105916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.105916 (E_RNA) where: Base-Base interactions energy: -40.661 where: short stacking energy: -25.421 Base-Backbone interact. energy: -0.850 local terms energy: -34.595212 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -6.196 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: 3, replica: 4 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -66.198448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.198448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.198448 (E_RNA) where: Base-Base interactions energy: -27.460 where: short stacking energy: -21.069 Base-Backbone interact. energy: -0.000 local terms energy: -38.738425 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.358 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -4.100 tors. eta vs tors. theta energy: -9.117 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: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -63.105034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.105034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.105034 (E_RNA) where: Base-Base interactions energy: -26.870 where: short stacking energy: -26.870 Base-Backbone interact. energy: -0.000 local terms energy: -36.234734 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -7.715 flat angles P-C4'-P energy: -2.255 tors. eta vs tors. theta energy: -10.040 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: 2 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -46.624047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.624047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.624047 (E_RNA) where: Base-Base interactions energy: -12.704 where: short stacking energy: -12.704 Base-Backbone interact. energy: 0.077 local terms energy: -33.996822 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -4.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -49.557220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.557220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.557220 (E_RNA) where: Base-Base interactions energy: -17.695 where: short stacking energy: -17.695 Base-Backbone interact. energy: -0.078 local terms energy: -31.784891 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -3.649 tors. eta vs tors. theta energy: -4.872 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: 176 Temperature: 1.200000 Total energy: -47.536999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.536999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.536999 (E_RNA) where: Base-Base interactions energy: -16.775 where: short stacking energy: -16.775 Base-Backbone interact. energy: -0.084 local terms energy: -30.677915 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -6.090 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: 8, replica: 3 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -55.332519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.332519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.332519 (E_RNA) where: Base-Base interactions energy: -21.567 where: short stacking energy: -21.567 Base-Backbone interact. energy: 0.118 local terms energy: -33.882779 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -5.205 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -6.442 tors. eta vs tors. theta energy: -6.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -44.982256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.982256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.982256 (E_RNA) where: Base-Base interactions energy: -20.760 where: short stacking energy: -9.876 Base-Backbone interact. energy: -0.154 local terms energy: -24.068608 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -4.971 flat angles P-C4'-P energy: -5.568 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: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -43.855179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.855179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.855179 (E_RNA) where: Base-Base interactions energy: -13.244 where: short stacking energy: -13.244 Base-Backbone interact. energy: -0.086 local terms energy: -30.524900 where: bonds (distance) C4'-P energy: -5.324 bonds (distance) P-C4' energy: -7.709 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -71.575638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.575638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.575638 (E_RNA) where: Base-Base interactions energy: -44.586 where: short stacking energy: -23.757 Base-Backbone interact. energy: -0.639 local terms energy: -26.351230 where: bonds (distance) C4'-P energy: -2.978 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -5.599 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -3.885 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: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -70.196003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.196003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.196003 (E_RNA) where: Base-Base interactions energy: -35.515 where: short stacking energy: -21.280 Base-Backbone interact. energy: -0.000 local terms energy: -34.680816 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.040 flat angles P-C4'-P energy: -7.114 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: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -55.669400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.669400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.669400 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -21.827 Base-Backbone interact. energy: -0.000 local terms energy: -33.842494 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -6.036 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -6.073 tors. eta vs tors. theta energy: -5.544 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: 4, replica: 2 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -65.564852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.564852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.564852 (E_RNA) where: Base-Base interactions energy: -35.012 where: short stacking energy: -21.877 Base-Backbone interact. energy: -0.097 local terms energy: -30.456411 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.097 flat angles P-C4'-P energy: -5.670 tors. eta vs tors. theta energy: -1.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -60.452146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.452146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.452146 (E_RNA) where: Base-Base interactions energy: -24.863 where: short stacking energy: -24.863 Base-Backbone interact. energy: -0.008 local terms energy: -35.581547 where: bonds (distance) C4'-P energy: -4.587 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.866 flat angles P-C4'-P energy: -5.793 tors. eta vs tors. theta energy: -8.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -56.824290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.824290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.824290 (E_RNA) where: Base-Base interactions energy: -24.771 where: short stacking energy: -19.644 Base-Backbone interact. energy: -0.000 local terms energy: -32.053088 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.287 flat angles C4'-P-C4' energy: -7.366 flat angles P-C4'-P energy: -4.112 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: 7, replica: 9 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -56.386443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.386443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.386443 (E_RNA) where: Base-Base interactions energy: -19.599 where: short stacking energy: -19.599 Base-Backbone interact. energy: -0.000 local terms energy: -36.787270 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -7.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -42.172405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.172405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.172405 (E_RNA) where: Base-Base interactions energy: -20.347 where: short stacking energy: -15.124 Base-Backbone interact. energy: 0.455 local terms energy: -22.280433 where: bonds (distance) C4'-P energy: -2.612 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -4.979 tors. eta vs tors. theta energy: 0.815 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: 3 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -52.420291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.420291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.420291 (E_RNA) where: Base-Base interactions energy: -21.470 where: short stacking energy: -21.470 Base-Backbone interact. energy: -0.234 local terms energy: -30.716149 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -1.902 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: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -36.893210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.893210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.893210 (E_RNA) where: Base-Base interactions energy: -7.096 where: short stacking energy: -6.485 Base-Backbone interact. energy: -0.021 local terms energy: -29.776690 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.325 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -67.758757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.758757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.758757 (E_RNA) where: Base-Base interactions energy: -35.034 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.008 local terms energy: -32.716779 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.176 flat angles P-C4'-P energy: -5.041 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -71.759833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.759833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.759833 (E_RNA) where: Base-Base interactions energy: -40.628 where: short stacking energy: -25.959 Base-Backbone interact. energy: -0.108 local terms energy: -31.023328 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -6.424 flat angles P-C4'-P energy: -3.853 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: 3, replica: 4 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -57.835912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.835912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.835912 (E_RNA) where: Base-Base interactions energy: -22.916 where: short stacking energy: -22.916 Base-Backbone interact. energy: -0.035 local terms energy: -34.884959 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.489 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -60.217053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.217053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.217053 (E_RNA) where: Base-Base interactions energy: -24.706 where: short stacking energy: -24.706 Base-Backbone interact. energy: -0.002 local terms energy: -35.509426 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -5.861 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: 7 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -62.230227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.230227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.230227 (E_RNA) where: Base-Base interactions energy: -30.213 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.075 local terms energy: -31.941393 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.294 flat angles C4'-P-C4' energy: -5.013 flat angles P-C4'-P energy: -5.137 tors. eta vs tors. theta energy: -6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -45.917526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.917526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.917526 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.030 local terms energy: -27.435155 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.199 flat angles P-C4'-P energy: -5.124 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -49.590623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.590623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.590623 (E_RNA) where: Base-Base interactions energy: -20.909 where: short stacking energy: -20.909 Base-Backbone interact. energy: -0.010 local terms energy: -28.672160 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -5.309 flat angles P-C4'-P energy: -5.434 tors. eta vs tors. theta energy: -2.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -46.671174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.671174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.671174 (E_RNA) where: Base-Base interactions energy: -20.941 where: short stacking energy: -20.370 Base-Backbone interact. energy: -0.107 local terms energy: -25.623111 where: bonds (distance) C4'-P energy: -2.413 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -2.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -45.810900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.810900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.810900 (E_RNA) where: Base-Base interactions energy: -21.177 where: short stacking energy: -21.177 Base-Backbone interact. energy: -0.094 local terms energy: -24.539339 where: bonds (distance) C4'-P energy: -4.603 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -2.390 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: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -42.179701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.179701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.179701 (E_RNA) where: Base-Base interactions energy: -19.546 where: short stacking energy: -19.546 Base-Backbone interact. energy: -0.037 local terms energy: -22.596504 where: bonds (distance) C4'-P energy: -5.000 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -3.322 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -2.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -87.217277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.217277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.217277 (E_RNA) where: Base-Base interactions energy: -52.164 where: short stacking energy: -21.496 Base-Backbone interact. energy: -0.561 local terms energy: -34.492403 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -5.410 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -62.122866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.122866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.122866 (E_RNA) where: Base-Base interactions energy: -27.169 where: short stacking energy: -27.169 Base-Backbone interact. energy: -0.141 local terms energy: -34.812607 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -4.167 tors. eta vs tors. theta energy: -8.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -56.437615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.437615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.437615 (E_RNA) where: Base-Base interactions energy: -22.057 where: short stacking energy: -22.057 Base-Backbone interact. energy: -0.001 local terms energy: -34.378842 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.448 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -55.598737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.598737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.598737 (E_RNA) where: Base-Base interactions energy: -22.043 where: short stacking energy: -21.229 Base-Backbone interact. energy: -0.100 local terms energy: -33.456448 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -5.326 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: 5, replica: 2 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -55.719254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.719254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.719254 (E_RNA) where: Base-Base interactions energy: -26.726 where: short stacking energy: -17.153 Base-Backbone interact. energy: -0.358 local terms energy: -28.635985 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.247 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: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -48.575638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.575638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.575638 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -7.897 Base-Backbone interact. energy: -0.051 local terms energy: -28.166780 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.535 flat angles C4'-P-C4' energy: -7.439 flat angles P-C4'-P energy: -2.810 tors. eta vs tors. theta energy: -2.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -54.485233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.485233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.485233 (E_RNA) where: Base-Base interactions energy: -28.142 where: short stacking energy: -17.230 Base-Backbone interact. energy: -0.121 local terms energy: -26.222145 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.997 tors. eta vs tors. theta energy: -0.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -41.012084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.012084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.012084 (E_RNA) where: Base-Base interactions energy: -19.264 where: short stacking energy: -15.934 Base-Backbone interact. energy: -0.009 local terms energy: -21.739115 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -0.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -39.589977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.589977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.589977 (E_RNA) where: Base-Base interactions energy: -17.324 where: short stacking energy: -11.635 Base-Backbone interact. energy: 2.612 local terms energy: -24.877750 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -8.032 flat angles P-C4'-P energy: -4.032 tors. eta vs tors. theta energy: 1.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -44.889217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.889217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.889217 (E_RNA) where: Base-Base interactions energy: -12.755 where: short stacking energy: -12.755 Base-Backbone interact. energy: -0.062 local terms energy: -32.071440 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -4.209 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: 1, replica: 1 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -80.059471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.059471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.059471 (E_RNA) where: Base-Base interactions energy: -43.288 where: short stacking energy: -28.066 Base-Backbone interact. energy: -0.003 local terms energy: -36.768979 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -6.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -63.667825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.667825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.667825 (E_RNA) where: Base-Base interactions energy: -26.509 where: short stacking energy: -26.509 Base-Backbone interact. energy: -0.000 local terms energy: -37.159084 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.073 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -5.852 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: 7 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -67.485337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.485337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.485337 (E_RNA) where: Base-Base interactions energy: -30.136 where: short stacking energy: -30.136 Base-Backbone interact. energy: -0.004 local terms energy: -37.345226 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -5.543 tors. eta vs tors. theta energy: -7.870 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: 5 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -52.060876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.060876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.060876 (E_RNA) where: Base-Base interactions energy: -19.752 where: short stacking energy: -19.752 Base-Backbone interact. energy: -0.000 local terms energy: -32.308362 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -4.683 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: 9 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -55.504529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.504529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.504529 (E_RNA) where: Base-Base interactions energy: -22.559 where: short stacking energy: -22.559 Base-Backbone interact. energy: -0.096 local terms energy: -32.849601 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -6.796 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: 2 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -54.642209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.642209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.642209 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -21.653 Base-Backbone interact. energy: -0.098 local terms energy: -31.150389 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -6.272 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -5.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -49.216859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.216859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.216859 (E_RNA) where: Base-Base interactions energy: -18.674 where: short stacking energy: -18.674 Base-Backbone interact. energy: -0.002 local terms energy: -30.541097 where: bonds (distance) C4'-P energy: -7.186 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -5.689 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -46.399384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.399384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.399384 (E_RNA) where: Base-Base interactions energy: -18.306 where: short stacking energy: -18.306 Base-Backbone interact. energy: -0.036 local terms energy: -28.058032 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.151 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -1.336 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: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -43.765334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.765334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.765334 (E_RNA) where: Base-Base interactions energy: -17.496 where: short stacking energy: -17.496 Base-Backbone interact. energy: -0.012 local terms energy: -26.257477 where: bonds (distance) C4'-P energy: -7.691 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -5.912 flat angles P-C4'-P energy: -5.522 tors. eta vs tors. theta energy: 0.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -42.163473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.163473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.163473 (E_RNA) where: Base-Base interactions energy: -14.078 where: short stacking energy: -14.078 Base-Backbone interact. energy: -0.003 local terms energy: -28.083051 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -4.625 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -84.243026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.243026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.243026 (E_RNA) where: Base-Base interactions energy: -49.532 where: short stacking energy: -30.193 Base-Backbone interact. energy: -0.002 local terms energy: -34.708985 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -8.055 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -6.836 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: 7 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -68.785097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.785097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.785097 (E_RNA) where: Base-Base interactions energy: -37.420 where: short stacking energy: -25.657 Base-Backbone interact. energy: -0.001 local terms energy: -31.364561 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -4.360 tors. eta vs tors. theta energy: -7.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -61.075128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.075128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.075128 (E_RNA) where: Base-Base interactions energy: -26.842 where: short stacking energy: -26.842 Base-Backbone interact. energy: -0.000 local terms energy: -34.233321 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -4.333 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -8.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -54.145313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.145313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.145313 (E_RNA) where: Base-Base interactions energy: -28.123 where: short stacking energy: -13.309 Base-Backbone interact. energy: -0.513 local terms energy: -25.509104 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -6.620 flat angles C4'-P-C4' energy: -5.926 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -54.358546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.358546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.358546 (E_RNA) where: Base-Base interactions energy: -22.210 where: short stacking energy: -19.823 Base-Backbone interact. energy: -0.000 local terms energy: -32.147990 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -2.101 tors. eta vs tors. theta energy: -4.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -48.672680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.672680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.672680 (E_RNA) where: Base-Base interactions energy: -15.470 where: short stacking energy: -15.470 Base-Backbone interact. energy: -0.426 local terms energy: -32.776071 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -7.499 tors. eta vs tors. theta energy: -2.132 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -52.797781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.797781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.797781 (E_RNA) where: Base-Base interactions energy: -21.140 where: short stacking energy: -21.140 Base-Backbone interact. energy: -0.000 local terms energy: -31.657272 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -4.016 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: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -49.209383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.209383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.209383 (E_RNA) where: Base-Base interactions energy: -18.460 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.017 local terms energy: -30.732485 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -2.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -45.563360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.563360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.563360 (E_RNA) where: Base-Base interactions energy: -14.805 where: short stacking energy: -14.805 Base-Backbone interact. energy: -0.057 local terms energy: -30.701472 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.111 tors. eta vs tors. theta energy: -4.379 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: 10, replica: 3 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -41.553516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.553516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.553516 (E_RNA) where: Base-Base interactions energy: -12.630 where: short stacking energy: -12.630 Base-Backbone interact. energy: -0.018 local terms energy: -28.904811 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -3.838 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -83.821067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.821067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.821067 (E_RNA) where: Base-Base interactions energy: -46.393 where: short stacking energy: -23.898 Base-Backbone interact. energy: -0.001 local terms energy: -37.427324 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -7.253 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -5.962 tors. eta vs tors. theta energy: -7.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -72.504024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.504024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.504024 (E_RNA) where: Base-Base interactions energy: -42.696 where: short stacking energy: -23.825 Base-Backbone interact. energy: -0.012 local terms energy: -29.796810 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.714 flat angles P-C4'-P energy: -3.147 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: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -55.687251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.687251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.687251 (E_RNA) where: Base-Base interactions energy: -21.523 where: short stacking energy: -19.337 Base-Backbone interact. energy: -0.004 local terms energy: -34.159896 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -8.882 flat angles P-C4'-P energy: -5.557 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: 4, replica: 4 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -53.281039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.281039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.281039 (E_RNA) where: Base-Base interactions energy: -23.716 where: short stacking energy: -23.716 Base-Backbone interact. energy: 0.301 local terms energy: -29.866297 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.998 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -4.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -42.229168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.229168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.229168 (E_RNA) where: Base-Base interactions energy: -13.780 where: short stacking energy: -13.780 Base-Backbone interact. energy: -0.095 local terms energy: -28.353995 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -4.472 tors. eta vs tors. theta energy: -1.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -45.367228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.367228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.367228 (E_RNA) where: Base-Base interactions energy: -21.066 where: short stacking energy: -17.325 Base-Backbone interact. energy: -0.101 local terms energy: -24.201159 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -4.384 tors. eta vs tors. theta energy: -0.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -48.511045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.511045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.511045 (E_RNA) where: Base-Base interactions energy: -19.038 where: short stacking energy: -19.038 Base-Backbone interact. energy: -0.192 local terms energy: -29.281552 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.784 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -3.254 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -61.196399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.196399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.196399 (E_RNA) where: Base-Base interactions energy: -23.907 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.000 local terms energy: -37.289393 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -41.963362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.963362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.963362 (E_RNA) where: Base-Base interactions energy: -12.121 where: short stacking energy: -12.121 Base-Backbone interact. energy: -0.006 local terms energy: -29.836529 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -2.722 tors. eta vs tors. theta energy: -3.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -44.972481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.972481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.972481 (E_RNA) where: Base-Base interactions energy: -19.358 where: short stacking energy: -19.358 Base-Backbone interact. energy: -0.002 local terms energy: -25.613226 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -6.129 flat angles P-C4'-P energy: -2.081 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -79.696197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.696197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.696197 (E_RNA) where: Base-Base interactions energy: -40.017 where: short stacking energy: -30.628 Base-Backbone interact. energy: -0.000 local terms energy: -39.679151 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.990 flat angles P-C4'-P energy: -4.471 tors. eta vs tors. theta energy: -8.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -68.450841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.450841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.450841 (E_RNA) where: Base-Base interactions energy: -30.250 where: short stacking energy: -28.169 Base-Backbone interact. energy: -0.004 local terms energy: -38.196782 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -5.135 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: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -60.608509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.608509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.608509 (E_RNA) where: Base-Base interactions energy: -27.628 where: short stacking energy: -27.628 Base-Backbone interact. energy: -0.001 local terms energy: -32.979299 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -4.795 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -5.007 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: 4, replica: 6 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -59.087525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.087525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.087525 (E_RNA) where: Base-Base interactions energy: -23.754 where: short stacking energy: -20.135 Base-Backbone interact. energy: -0.023 local terms energy: -35.310860 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -9.034 flat angles C4'-P-C4' energy: -7.951 flat angles P-C4'-P energy: -3.883 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: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -55.100673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.100673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.100673 (E_RNA) where: Base-Base interactions energy: -21.104 where: short stacking energy: -15.946 Base-Backbone interact. energy: -0.038 local terms energy: -33.958068 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.976 flat angles P-C4'-P energy: -4.951 tors. eta vs tors. theta energy: -4.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -48.392197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.392197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.392197 (E_RNA) where: Base-Base interactions energy: -23.369 where: short stacking energy: -22.626 Base-Backbone interact. energy: -0.000 local terms energy: -25.022797 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -4.961 flat angles C4'-P-C4' energy: -6.601 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -3.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -55.866509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.866509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.866509 (E_RNA) where: Base-Base interactions energy: -26.853 where: short stacking energy: -21.943 Base-Backbone interact. energy: -0.336 local terms energy: -28.678009 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -4.913 flat angles P-C4'-P energy: -4.443 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: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -42.939875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.939875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.939875 (E_RNA) where: Base-Base interactions energy: -15.809 where: short stacking energy: -15.809 Base-Backbone interact. energy: -0.048 local terms energy: -27.082952 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -2.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -42.981929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.981929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.981929 (E_RNA) where: Base-Base interactions energy: -15.198 where: short stacking energy: -15.198 Base-Backbone interact. energy: -0.006 local terms energy: -27.778375 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -3.592 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: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -45.176430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.176430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.176430 (E_RNA) where: Base-Base interactions energy: -16.057 where: short stacking energy: -16.057 Base-Backbone interact. energy: -0.045 local terms energy: -29.073873 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.861 flat angles P-C4'-P energy: -4.841 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: 7 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -82.767446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.767446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.767446 (E_RNA) where: Base-Base interactions energy: -48.235 where: short stacking energy: -27.986 Base-Backbone interact. energy: 0.768 local terms energy: -35.300040 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.990 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -78.360226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.360226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.360226 (E_RNA) where: Base-Base interactions energy: -42.668 where: short stacking energy: -26.238 Base-Backbone interact. energy: -0.028 local terms energy: -35.664471 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.717 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -7.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -64.500633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.500633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.500633 (E_RNA) where: Base-Base interactions energy: -33.520 where: short stacking energy: -23.695 Base-Backbone interact. energy: -0.042 local terms energy: -30.937996 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -5.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -51.834335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.834335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.834335 (E_RNA) where: Base-Base interactions energy: -20.123 where: short stacking energy: -20.123 Base-Backbone interact. energy: -0.000 local terms energy: -31.711014 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -6.748 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: 5, replica: 8 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -55.119347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.119347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.119347 (E_RNA) where: Base-Base interactions energy: -21.068 where: short stacking energy: -21.068 Base-Backbone interact. energy: -0.000 local terms energy: -34.051046 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.427 tors. eta vs tors. theta energy: -5.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -57.419980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.419980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.419980 (E_RNA) where: Base-Base interactions energy: -31.733 where: short stacking energy: -16.719 Base-Backbone interact. energy: -0.525 local terms energy: -25.162445 where: bonds (distance) C4'-P energy: -2.290 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.862 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -51.112100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.112100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.112100 (E_RNA) where: Base-Base interactions energy: -23.626 where: short stacking energy: -17.162 Base-Backbone interact. energy: -0.019 local terms energy: -27.467379 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -3.599 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -44.466572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.466572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.466572 (E_RNA) where: Base-Base interactions energy: -13.794 where: short stacking energy: -13.794 Base-Backbone interact. energy: -0.000 local terms energy: -30.672178 where: bonds (distance) C4'-P energy: -5.038 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -4.367 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: 9, replica: 10 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -38.506373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.506373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.506373 (E_RNA) where: Base-Base interactions energy: -11.460 where: short stacking energy: -11.460 Base-Backbone interact. energy: -0.034 local terms energy: -27.012293 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.843 flat angles C4'-P-C4' energy: -3.320 flat angles P-C4'-P energy: -7.002 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: 184 Temperature: 1.350000 Total energy: -50.020728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.020728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.020728 (E_RNA) where: Base-Base interactions energy: -18.641 where: short stacking energy: -18.641 Base-Backbone interact. energy: -0.000 local terms energy: -31.379308 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -7.408 flat angles C4'-P-C4' energy: -7.832 flat angles P-C4'-P energy: -4.253 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: 1, replica: 7 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -83.715995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.715995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.715995 (E_RNA) where: Base-Base interactions energy: -46.990 where: short stacking energy: -29.554 Base-Backbone interact. energy: 0.090 local terms energy: -36.816402 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -9.010 flat angles P-C4'-P energy: -4.897 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: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -64.046067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.046067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.046067 (E_RNA) where: Base-Base interactions energy: -27.614 where: short stacking energy: -23.324 Base-Backbone interact. energy: -0.000 local terms energy: -36.432046 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -5.427 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -10.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -62.913634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.913634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.913634 (E_RNA) where: Base-Base interactions energy: -30.581 where: short stacking energy: -28.237 Base-Backbone interact. energy: -0.004 local terms energy: -32.328694 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.205 flat angles P-C4'-P energy: -3.478 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: 8 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -50.704133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.704133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.704133 (E_RNA) where: Base-Base interactions energy: -19.903 where: short stacking energy: -19.903 Base-Backbone interact. energy: -0.014 local terms energy: -30.786699 where: bonds (distance) C4'-P energy: -4.909 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -4.543 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: 9 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -55.404772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.404772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.404772 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.007 local terms energy: -33.135896 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.417 flat angles C4'-P-C4' energy: -7.831 flat angles P-C4'-P energy: -3.992 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: 6, replica: 2 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -57.620124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.620124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.620124 (E_RNA) where: Base-Base interactions energy: -27.844 where: short stacking energy: -16.349 Base-Backbone interact. energy: -0.003 local terms energy: -29.773109 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.214 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -56.273955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.273955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.273955 (E_RNA) where: Base-Base interactions energy: -28.966 where: short stacking energy: -20.007 Base-Backbone interact. energy: -0.005 local terms energy: -27.303726 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.174 flat angles C4'-P-C4' energy: -5.251 flat angles P-C4'-P energy: -2.593 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -46.056907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.056907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.056907 (E_RNA) where: Base-Base interactions energy: -18.417 where: short stacking energy: -18.417 Base-Backbone interact. energy: -0.038 local terms energy: -27.602219 where: bonds (distance) C4'-P energy: -6.057 bonds (distance) P-C4' energy: -6.163 flat angles C4'-P-C4' energy: -7.746 flat angles P-C4'-P energy: -4.900 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: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -45.983632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.983632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.983632 (E_RNA) where: Base-Base interactions energy: -17.514 where: short stacking energy: -17.332 Base-Backbone interact. energy: -0.063 local terms energy: -28.406163 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -7.554 flat angles P-C4'-P energy: -3.639 tors. eta vs tors. theta energy: -4.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -40.397582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.397582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.397582 (E_RNA) where: Base-Base interactions energy: -10.901 where: short stacking energy: -10.901 Base-Backbone interact. energy: -0.058 local terms energy: -29.438056 where: bonds (distance) C4'-P energy: -4.623 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.636 flat angles P-C4'-P energy: -7.075 tors. eta vs tors. theta energy: -3.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -73.149585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.149585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.149585 (E_RNA) where: Base-Base interactions energy: -31.648 where: short stacking energy: -29.918 Base-Backbone interact. energy: -0.000 local terms energy: -41.501756 where: bonds (distance) C4'-P energy: -6.640 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -10.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -72.486415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.486415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.486415 (E_RNA) where: Base-Base interactions energy: -37.128 where: short stacking energy: -30.785 Base-Backbone interact. energy: -0.021 local terms energy: -35.336669 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -7.952 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -49.043383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.043383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.043383 (E_RNA) where: Base-Base interactions energy: -15.125 where: short stacking energy: -15.125 Base-Backbone interact. energy: -0.032 local terms energy: -33.886389 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.007 flat angles P-C4'-P energy: -5.696 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: 4, replica: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -51.516665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.516665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.516665 (E_RNA) where: Base-Base interactions energy: -18.092 where: short stacking energy: -16.403 Base-Backbone interact. energy: -0.008 local terms energy: -33.415900 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -5.934 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: 5, replica: 9 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -52.417745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.417745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.417745 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.002 local terms energy: -35.216396 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.454 tors. eta vs tors. theta energy: -6.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -46.394497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.394497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.394497 (E_RNA) where: Base-Base interactions energy: -14.754 where: short stacking energy: -14.526 Base-Backbone interact. energy: -0.003 local terms energy: -31.637368 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.622 flat angles P-C4'-P energy: -3.917 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: 7, replica: 10 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -54.547745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.547745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.547745 (E_RNA) where: Base-Base interactions energy: -17.449 where: short stacking energy: -17.449 Base-Backbone interact. energy: -0.005 local terms energy: -37.093403 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -53.504647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.504647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.504647 (E_RNA) where: Base-Base interactions energy: -25.716 where: short stacking energy: -18.613 Base-Backbone interact. energy: -0.100 local terms energy: -27.688739 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -5.041 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -2.468 tors. eta vs tors. theta energy: -6.103 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: 9, replica: 3 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -38.590912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.590912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.590912 (E_RNA) where: Base-Base interactions energy: -14.002 where: short stacking energy: -11.541 Base-Backbone interact. energy: -0.218 local terms energy: -24.370950 where: bonds (distance) C4'-P energy: -5.530 bonds (distance) P-C4' energy: -5.721 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -1.880 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: 10, replica: 5 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -37.470926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.470926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.470926 (E_RNA) where: Base-Base interactions energy: -15.614 where: short stacking energy: -14.121 Base-Backbone interact. energy: -0.002 local terms energy: -21.855565 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -6.481 flat angles C4'-P-C4' energy: -3.365 flat angles P-C4'-P energy: -5.027 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: 7 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -68.539296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.539296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.539296 (E_RNA) where: Base-Base interactions energy: -32.753 where: short stacking energy: -23.166 Base-Backbone interact. energy: -0.032 local terms energy: -35.753427 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -6.744 tors. eta vs tors. theta energy: -6.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -63.277195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.277195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.277195 (E_RNA) where: Base-Base interactions energy: -29.866 where: short stacking energy: -28.960 Base-Backbone interact. energy: -0.037 local terms energy: -33.374258 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -6.685 flat angles C4'-P-C4' energy: -5.872 flat angles P-C4'-P energy: -7.182 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: 3, replica: 6 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -63.826144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.826144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.826144 (E_RNA) where: Base-Base interactions energy: -29.688 where: short stacking energy: -15.339 Base-Backbone interact. energy: -0.018 local terms energy: -34.120361 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.854 flat angles P-C4'-P energy: -7.182 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: 4, replica: 9 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -59.696311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.696311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.696311 (E_RNA) where: Base-Base interactions energy: -28.280 where: short stacking energy: -28.280 Base-Backbone interact. energy: -0.007 local terms energy: -31.410100 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -7.108 tors. eta vs tors. theta energy: -4.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -48.193000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.193000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.193000 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.093 local terms energy: -29.372213 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -4.565 flat angles P-C4'-P energy: -5.297 tors. eta vs tors. theta energy: -6.953 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: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -52.935246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.935246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.935246 (E_RNA) where: Base-Base interactions energy: -21.603 where: short stacking energy: -21.603 Base-Backbone interact. energy: -0.022 local terms energy: -31.309967 where: bonds (distance) C4'-P energy: -3.618 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.437 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -6.488 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: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -56.204294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.204294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.204294 (E_RNA) where: Base-Base interactions energy: -29.406 where: short stacking energy: -20.630 Base-Backbone interact. energy: -0.002 local terms energy: -26.795919 where: bonds (distance) C4'-P energy: -2.948 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -5.450 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -44.836891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.836891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.836891 (E_RNA) where: Base-Base interactions energy: -16.352 where: short stacking energy: -16.352 Base-Backbone interact. energy: -0.001 local terms energy: -28.484300 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -4.446 tors. eta vs tors. theta energy: -0.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -48.770552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.770552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.770552 (E_RNA) where: Base-Base interactions energy: -20.575 where: short stacking energy: -20.575 Base-Backbone interact. energy: -0.001 local terms energy: -28.195070 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.227 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -5.015 tors. eta vs tors. theta energy: -4.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -43.301760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.301760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.301760 (E_RNA) where: Base-Base interactions energy: -13.337 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.131 local terms energy: -29.834362 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -2.931 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: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -74.146141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.146141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.146141 (E_RNA) where: Base-Base interactions energy: -35.793 where: short stacking energy: -35.793 Base-Backbone interact. energy: -0.000 local terms energy: -38.353118 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.303 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: 2, replica: 7 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -65.227232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.227232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.227232 (E_RNA) where: Base-Base interactions energy: -28.491 where: short stacking energy: -28.491 Base-Backbone interact. energy: -0.004 local terms energy: -36.732164 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -7.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -56.646800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.646800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.646800 (E_RNA) where: Base-Base interactions energy: -23.736 where: short stacking energy: -23.736 Base-Backbone interact. energy: -0.001 local terms energy: -32.909572 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.490 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -65.985762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.985762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.985762 (E_RNA) where: Base-Base interactions energy: -31.722 where: short stacking energy: -31.722 Base-Backbone interact. energy: -0.000 local terms energy: -34.263410 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -7.142 flat angles P-C4'-P energy: -4.403 tors. eta vs tors. theta energy: -8.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -48.106160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.106160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.106160 (E_RNA) where: Base-Base interactions energy: -18.578 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.161 local terms energy: -29.367111 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -4.382 tors. eta vs tors. theta energy: -2.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -43.329922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.329922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.329922 (E_RNA) where: Base-Base interactions energy: -15.350 where: short stacking energy: -15.350 Base-Backbone interact. energy: -0.087 local terms energy: -27.892716 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.042 flat angles P-C4'-P energy: -2.707 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: 7, replica: 2 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -41.785562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.785562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.785562 (E_RNA) where: Base-Base interactions energy: -9.459 where: short stacking energy: -9.459 Base-Backbone interact. energy: -0.112 local terms energy: -32.215203 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -7.285 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: 8, replica: 3 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -45.252112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.252112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.252112 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.015 local terms energy: -28.476773 where: bonds (distance) C4'-P energy: -3.610 bonds (distance) P-C4' energy: -6.977 flat angles C4'-P-C4' energy: -6.076 flat angles P-C4'-P energy: -6.397 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: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -44.955147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.955147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.955147 (E_RNA) where: Base-Base interactions energy: -19.686 where: short stacking energy: -15.422 Base-Backbone interact. energy: -0.442 local terms energy: -24.827366 where: bonds (distance) C4'-P energy: -4.172 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.494 tors. eta vs tors. theta energy: -1.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -40.077530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.077530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.077530 (E_RNA) where: Base-Base interactions energy: -20.238 where: short stacking energy: -17.408 Base-Backbone interact. energy: 0.031 local terms energy: -19.870583 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -4.915 flat angles C4'-P-C4' energy: -5.036 flat angles P-C4'-P energy: -1.263 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -59.993556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.993556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.993556 (E_RNA) where: Base-Base interactions energy: -26.379 where: short stacking energy: -26.379 Base-Backbone interact. energy: -0.036 local terms energy: -33.579064 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -3.050 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: 2, replica: 7 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -72.671657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.671657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.671657 (E_RNA) where: Base-Base interactions energy: -32.619 where: short stacking energy: -29.718 Base-Backbone interact. energy: -0.000 local terms energy: -40.052868 where: bonds (distance) C4'-P energy: -5.741 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -6.816 tors. eta vs tors. theta energy: -10.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -62.061675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.061675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.061675 (E_RNA) where: Base-Base interactions energy: -27.920 where: short stacking energy: -24.994 Base-Backbone interact. energy: -0.002 local terms energy: -34.139480 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -6.960 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -5.511 tors. eta vs tors. theta energy: -5.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -60.311403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.311403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.311403 (E_RNA) where: Base-Base interactions energy: -23.995 where: short stacking energy: -23.995 Base-Backbone interact. energy: -0.000 local terms energy: -36.316061 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.392 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -8.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -52.903459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.903459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.903459 (E_RNA) where: Base-Base interactions energy: -24.535 where: short stacking energy: -24.535 Base-Backbone interact. energy: -0.000 local terms energy: -28.368369 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -1.824 flat angles P-C4'-P energy: -4.598 tors. eta vs tors. theta energy: -6.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -50.125498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.125498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.125498 (E_RNA) where: Base-Base interactions energy: -19.379 where: short stacking energy: -19.050 Base-Backbone interact. energy: -0.000 local terms energy: -30.746819 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -5.653 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.816 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: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -48.055480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.055480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.055480 (E_RNA) where: Base-Base interactions energy: -16.869 where: short stacking energy: -16.869 Base-Backbone interact. energy: -0.225 local terms energy: -30.961108 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -6.560 flat angles C4'-P-C4' energy: -7.905 flat angles P-C4'-P energy: -5.859 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: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -44.237456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.237456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.237456 (E_RNA) where: Base-Base interactions energy: -15.003 where: short stacking energy: -15.003 Base-Backbone interact. energy: -0.010 local terms energy: -29.224674 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.505 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: 9, replica: 3 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -45.161280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.161280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.161280 (E_RNA) where: Base-Base interactions energy: -20.363 where: short stacking energy: -20.363 Base-Backbone interact. energy: -0.000 local terms energy: -24.798060 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -3.448 flat angles P-C4'-P energy: -2.527 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: 189 Temperature: 1.350000 Total energy: -47.054301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.054301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.054301 (E_RNA) where: Base-Base interactions energy: -18.138 where: short stacking energy: -18.138 Base-Backbone interact. energy: -0.002 local terms energy: -28.913925 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -3.562 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: 1, replica: 7 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -67.141448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.141448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.141448 (E_RNA) where: Base-Base interactions energy: -30.094 where: short stacking energy: -29.293 Base-Backbone interact. energy: -0.000 local terms energy: -37.047550 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -8.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -59.777664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.777664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.777664 (E_RNA) where: Base-Base interactions energy: -22.423 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.001 local terms energy: -37.353774 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.951 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -7.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -67.426601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.426601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.426601 (E_RNA) where: Base-Base interactions energy: -30.751 where: short stacking energy: -30.751 Base-Backbone interact. energy: -0.000 local terms energy: -36.675881 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -3.916 tors. eta vs tors. theta energy: -9.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -55.500703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.500703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.500703 (E_RNA) where: Base-Base interactions energy: -19.995 where: short stacking energy: -19.995 Base-Backbone interact. energy: -0.018 local terms energy: -35.488585 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -5.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -47.604139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.604139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.604139 (E_RNA) where: Base-Base interactions energy: -20.677 where: short stacking energy: -20.677 Base-Backbone interact. energy: -0.080 local terms energy: -26.847128 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -6.477 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -3.818 tors. eta vs tors. theta energy: -3.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -51.779350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.779350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.779350 (E_RNA) where: Base-Base interactions energy: -22.523 where: short stacking energy: -22.335 Base-Backbone interact. energy: -0.000 local terms energy: -29.256512 where: bonds (distance) C4'-P energy: -3.350 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -4.539 tors. eta vs tors. theta energy: -6.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -49.471215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.471215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.471215 (E_RNA) where: Base-Base interactions energy: -23.056 where: short stacking energy: -23.056 Base-Backbone interact. energy: -0.006 local terms energy: -26.409247 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -5.105 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -4.156 tors. eta vs tors. theta energy: -4.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -43.345315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.345315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.345315 (E_RNA) where: Base-Base interactions energy: -16.601 where: short stacking energy: -16.601 Base-Backbone interact. energy: -0.038 local terms energy: -26.706752 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -3.761 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: 9, replica: 4 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -41.683424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.683424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.683424 (E_RNA) where: Base-Base interactions energy: -14.327 where: short stacking energy: -14.327 Base-Backbone interact. energy: -0.033 local terms energy: -27.323407 where: bonds (distance) C4'-P energy: -6.469 bonds (distance) P-C4' energy: -6.678 flat angles C4'-P-C4' energy: -6.178 flat angles P-C4'-P energy: -4.428 tors. eta vs tors. theta energy: -3.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -42.100990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.100990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.100990 (E_RNA) where: Base-Base interactions energy: -15.542 where: short stacking energy: -15.542 Base-Backbone interact. energy: -0.000 local terms energy: -26.558890 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -5.239 flat angles C4'-P-C4' energy: -4.144 flat angles P-C4'-P energy: -3.823 tors. eta vs tors. theta energy: -4.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -58.430663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.430663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.430663 (E_RNA) where: Base-Base interactions energy: -24.102 where: short stacking energy: -24.102 Base-Backbone interact. energy: -0.000 local terms energy: -34.328527 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.037 flat angles P-C4'-P energy: -4.065 tors. eta vs tors. theta energy: -4.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -60.100271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.100271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.100271 (E_RNA) where: Base-Base interactions energy: -28.408 where: short stacking energy: -28.408 Base-Backbone interact. energy: -0.001 local terms energy: -31.691029 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -5.838 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: 8 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -59.617617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.617617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.617617 (E_RNA) where: Base-Base interactions energy: -26.013 where: short stacking energy: -26.013 Base-Backbone interact. energy: -0.002 local terms energy: -33.601688 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -8.337 flat angles P-C4'-P energy: -3.920 tors. eta vs tors. theta energy: -6.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -54.733104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.733104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.733104 (E_RNA) where: Base-Base interactions energy: -28.577 where: short stacking energy: -21.799 Base-Backbone interact. energy: -0.050 local terms energy: -26.106211 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -4.566 flat angles C4'-P-C4' energy: -8.328 flat angles P-C4'-P energy: -3.033 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: 5, replica: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -48.417937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.417937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.417937 (E_RNA) where: Base-Base interactions energy: -21.019 where: short stacking energy: -21.019 Base-Backbone interact. energy: -0.015 local terms energy: -27.384347 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -3.791 tors. eta vs tors. theta energy: -1.979 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: 6, replica: 5 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -46.765893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.765893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.765893 (E_RNA) where: Base-Base interactions energy: -24.867 where: short stacking energy: -15.924 Base-Backbone interact. energy: -0.004 local terms energy: -21.895149 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -2.146 flat angles P-C4'-P energy: -4.904 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: 7, replica: 2 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -52.084382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.084382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.084382 (E_RNA) where: Base-Base interactions energy: -23.681 where: short stacking energy: -17.093 Base-Backbone interact. energy: -0.001 local terms energy: -28.402933 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -3.073 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -2.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -45.757098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.757098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.757098 (E_RNA) where: Base-Base interactions energy: -17.225 where: short stacking energy: -17.225 Base-Backbone interact. energy: -0.022 local terms energy: -28.509872 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -3.443 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: 9, replica: 1 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -44.552220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.552220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.552220 (E_RNA) where: Base-Base interactions energy: -17.233 where: short stacking energy: -12.851 Base-Backbone interact. energy: -0.028 local terms energy: -27.291874 where: bonds (distance) C4'-P energy: -6.031 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -39.307036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.307036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.307036 (E_RNA) where: Base-Base interactions energy: -9.955 where: short stacking energy: -9.955 Base-Backbone interact. energy: -0.091 local terms energy: -29.261029 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -71.686092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.686092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.686092 (E_RNA) where: Base-Base interactions energy: -32.345 where: short stacking energy: -32.345 Base-Backbone interact. energy: -0.001 local terms energy: -39.340808 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -9.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -63.989458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.989458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.989458 (E_RNA) where: Base-Base interactions energy: -28.439 where: short stacking energy: -28.439 Base-Backbone interact. energy: -0.001 local terms energy: -35.549235 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -8.804 flat angles P-C4'-P energy: -5.131 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: 3, replica: 8 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -58.806292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.806292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.806292 (E_RNA) where: Base-Base interactions energy: -27.564 where: short stacking energy: -27.564 Base-Backbone interact. energy: -0.017 local terms energy: -31.225436 where: bonds (distance) C4'-P energy: -7.008 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -1.677 tors. eta vs tors. theta energy: -6.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -58.100748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.100748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.100748 (E_RNA) where: Base-Base interactions energy: -24.295 where: short stacking energy: -24.295 Base-Backbone interact. energy: -0.002 local terms energy: -33.802874 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: -7.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -58.129740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.129740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.129740 (E_RNA) where: Base-Base interactions energy: -28.692 where: short stacking energy: -28.692 Base-Backbone interact. energy: -0.000 local terms energy: -29.438169 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -5.068 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -7.821 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: 9 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -54.097129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.097129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.097129 (E_RNA) where: Base-Base interactions energy: -22.238 where: short stacking energy: -22.238 Base-Backbone interact. energy: -0.007 local terms energy: -31.852030 where: bonds (distance) C4'-P energy: -5.319 bonds (distance) P-C4' energy: -8.382 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -5.832 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: 7, replica: 4 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -49.416556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.416556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.416556 (E_RNA) where: Base-Base interactions energy: -18.902 where: short stacking energy: -18.902 Base-Backbone interact. energy: 0.026 local terms energy: -30.540728 where: bonds (distance) C4'-P energy: -3.780 bonds (distance) P-C4' energy: -6.917 flat angles C4'-P-C4' energy: -6.834 flat angles P-C4'-P energy: -6.432 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: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -43.635696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.635696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.635696 (E_RNA) where: Base-Base interactions energy: -16.134 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.003 local terms energy: -27.499401 where: bonds (distance) C4'-P energy: -5.481 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -3.444 tors. eta vs tors. theta energy: -1.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -44.646980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.646980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.646980 (E_RNA) where: Base-Base interactions energy: -14.000 where: short stacking energy: -14.000 Base-Backbone interact. energy: 0.007 local terms energy: -30.654218 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -4.841 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -44.965485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.965485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.965485 (E_RNA) where: Base-Base interactions energy: -19.035 where: short stacking energy: -19.035 Base-Backbone interact. energy: -0.139 local terms energy: -25.790925 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -2.619 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: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -65.686680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.686680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.686680 (E_RNA) where: Base-Base interactions energy: -31.106 where: short stacking energy: -31.106 Base-Backbone interact. energy: -0.002 local terms energy: -34.578107 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -8.880 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -5.635 tors. eta vs tors. theta energy: -9.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -62.455357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.455357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.455357 (E_RNA) where: Base-Base interactions energy: -25.188 where: short stacking energy: -25.188 Base-Backbone interact. energy: -0.054 local terms energy: -37.213401 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -6.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -59.155410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.155410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.155410 (E_RNA) where: Base-Base interactions energy: -25.602 where: short stacking energy: -25.602 Base-Backbone interact. energy: 0.257 local terms energy: -33.810565 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -8.414 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -7.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -54.720821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.720821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.720821 (E_RNA) where: Base-Base interactions energy: -20.597 where: short stacking energy: -20.597 Base-Backbone interact. energy: -0.069 local terms energy: -34.055309 where: bonds (distance) C4'-P energy: -7.170 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -6.623 tors. eta vs tors. theta energy: -8.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -56.977035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.977035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.977035 (E_RNA) where: Base-Base interactions energy: -26.536 where: short stacking energy: -15.065 Base-Backbone interact. energy: 1.347 local terms energy: -31.787434 where: bonds (distance) C4'-P energy: -5.492 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.841 flat angles P-C4'-P energy: -5.648 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: 6, replica: 4 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -55.451119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.451119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.451119 (E_RNA) where: Base-Base interactions energy: -25.829 where: short stacking energy: -25.829 Base-Backbone interact. energy: -0.006 local terms energy: -29.615569 where: bonds (distance) C4'-P energy: -5.228 bonds (distance) P-C4' energy: -7.337 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -3.046 tors. eta vs tors. theta energy: -6.729 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: 9 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -42.144186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.144186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.144186 (E_RNA) where: Base-Base interactions energy: -12.168 where: short stacking energy: -12.168 Base-Backbone interact. energy: -0.003 local terms energy: -29.973232 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.202 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -0.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -45.355202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.355202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.355202 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -10.186 Base-Backbone interact. energy: -0.034 local terms energy: -26.533451 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -1.286 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: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -46.402686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.402686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.402686 (E_RNA) where: Base-Base interactions energy: -15.419 where: short stacking energy: -15.419 Base-Backbone interact. energy: 1.033 local terms energy: -32.016539 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -3.492 tors. eta vs tors. theta energy: -1.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -42.316264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.316264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.316264 (E_RNA) where: Base-Base interactions energy: -10.190 where: short stacking energy: -10.190 Base-Backbone interact. energy: -0.059 local terms energy: -32.067182 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -5.923 tors. eta vs tors. theta energy: -0.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -57.621612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.621612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.621612 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -22.281 Base-Backbone interact. energy: -0.078 local terms energy: -35.262264 where: bonds (distance) C4'-P energy: -4.437 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -6.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -59.453462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.453462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.453462 (E_RNA) where: Base-Base interactions energy: -26.546 where: short stacking energy: -26.546 Base-Backbone interact. energy: -0.105 local terms energy: -32.802494 where: bonds (distance) C4'-P energy: -5.291 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -6.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -62.001074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.001074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.001074 (E_RNA) where: Base-Base interactions energy: -27.884 where: short stacking energy: -27.884 Base-Backbone interact. energy: -0.000 local terms energy: -34.117436 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.062 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -3.589 tors. eta vs tors. theta energy: -9.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -57.265074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.265074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.265074 (E_RNA) where: Base-Base interactions energy: -24.571 where: short stacking energy: -24.571 Base-Backbone interact. energy: -0.001 local terms energy: -32.693372 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -1.960 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: 5, replica: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -50.889264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.889264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.889264 (E_RNA) where: Base-Base interactions energy: -16.661 where: short stacking energy: -16.661 Base-Backbone interact. energy: -0.008 local terms energy: -34.220438 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.555 flat angles P-C4'-P energy: -5.594 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: 6, replica: 10 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -55.035629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.035629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.035629 (E_RNA) where: Base-Base interactions energy: -28.090 where: short stacking energy: -20.752 Base-Backbone interact. energy: -0.063 local terms energy: -26.882763 where: bonds (distance) C4'-P energy: -5.155 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -5.616 flat angles P-C4'-P energy: -5.633 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: 7, replica: 3 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -54.138440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.138440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.138440 (E_RNA) where: Base-Base interactions energy: -25.802 where: short stacking energy: -19.327 Base-Backbone interact. energy: 0.100 local terms energy: -28.436398 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -7.474 flat angles P-C4'-P energy: -4.253 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: 8, replica: 9 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -43.381601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.381601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.381601 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -12.446 Base-Backbone interact. energy: -0.005 local terms energy: -28.253013 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -4.664 tors. eta vs tors. theta energy: -1.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -38.933694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.933694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.933694 (E_RNA) where: Base-Base interactions energy: -13.705 where: short stacking energy: -13.705 Base-Backbone interact. energy: 1.039 local terms energy: -26.268165 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -3.959 flat angles P-C4'-P energy: -4.986 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -48.587518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.587518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.587518 (E_RNA) where: Base-Base interactions energy: -14.442 where: short stacking energy: -14.442 Base-Backbone interact. energy: -0.001 local terms energy: -34.144259 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -5.249 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: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -69.377659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.377659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.377659 (E_RNA) where: Base-Base interactions energy: -29.053 where: short stacking energy: -29.053 Base-Backbone interact. energy: -0.000 local terms energy: -40.324761 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -6.090 tors. eta vs tors. theta energy: -9.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -62.185016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.185016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.185016 (E_RNA) where: Base-Base interactions energy: -27.060 where: short stacking energy: -21.282 Base-Backbone interact. energy: -0.194 local terms energy: -34.930885 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -69.572516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.572516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.572516 (E_RNA) where: Base-Base interactions energy: -38.820 where: short stacking energy: -19.645 Base-Backbone interact. energy: 0.189 local terms energy: -30.941656 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -6.677 flat angles C4'-P-C4' energy: -8.314 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -3.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -55.629680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.629680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.629680 (E_RNA) where: Base-Base interactions energy: -21.546 where: short stacking energy: -14.877 Base-Backbone interact. energy: -0.002 local terms energy: -34.080740 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -3.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -62.727352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.727352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.727352 (E_RNA) where: Base-Base interactions energy: -26.201 where: short stacking energy: -26.201 Base-Backbone interact. energy: -0.002 local terms energy: -36.524362 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -9.035 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: 10 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -49.981219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.981219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.981219 (E_RNA) where: Base-Base interactions energy: -20.351 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.103 local terms energy: -29.527254 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.844 flat angles P-C4'-P energy: -6.597 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: 7, replica: 3 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -44.371914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.371914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.371914 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -9.606 Base-Backbone interact. energy: 0.237 local terms energy: -27.187374 where: bonds (distance) C4'-P energy: -5.713 bonds (distance) P-C4' energy: -8.513 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -48.758366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.758366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.758366 (E_RNA) where: Base-Base interactions energy: -18.204 where: short stacking energy: -18.204 Base-Backbone interact. energy: -0.004 local terms energy: -30.549759 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -7.149 flat angles C4'-P-C4' energy: -7.883 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -41.232062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.232062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.232062 (E_RNA) where: Base-Base interactions energy: -11.913 where: short stacking energy: -11.913 Base-Backbone interact. energy: -0.048 local terms energy: -29.270338 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -5.604 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: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -41.137349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.137349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.137349 (E_RNA) where: Base-Base interactions energy: -15.918 where: short stacking energy: -14.928 Base-Backbone interact. energy: 0.363 local terms energy: -25.582118 where: bonds (distance) C4'-P energy: -6.648 bonds (distance) P-C4' energy: -6.893 flat angles C4'-P-C4' energy: -6.750 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -82.652139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.652139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.652139 (E_RNA) where: Base-Base interactions energy: -48.971 where: short stacking energy: -24.289 Base-Backbone interact. energy: -0.002 local terms energy: -33.679278 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -4.611 tors. eta vs tors. theta energy: -6.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -64.189050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.189050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.189050 (E_RNA) where: Base-Base interactions energy: -27.474 where: short stacking energy: -27.474 Base-Backbone interact. energy: -0.001 local terms energy: -36.714154 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -7.732 flat angles C4'-P-C4' energy: -6.303 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -7.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -60.242676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.242676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.242676 (E_RNA) where: Base-Base interactions energy: -29.979 where: short stacking energy: -22.260 Base-Backbone interact. energy: -0.084 local terms energy: -30.178783 where: bonds (distance) C4'-P energy: -4.703 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -5.983 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: 4, replica: 7 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -58.997292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.997292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.997292 (E_RNA) where: Base-Base interactions energy: -21.092 where: short stacking energy: -20.551 Base-Backbone interact. energy: -0.074 local terms energy: -37.831319 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -6.522 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: 5, replica: 10 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -42.767914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.767914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.767914 (E_RNA) where: Base-Base interactions energy: -14.501 where: short stacking energy: -14.501 Base-Backbone interact. energy: -0.000 local terms energy: -28.267296 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -7.547 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -41.398704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.398704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.398704 (E_RNA) where: Base-Base interactions energy: -13.833 where: short stacking energy: -11.527 Base-Backbone interact. energy: -0.478 local terms energy: -27.088091 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.269 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -49.657896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.657896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.657896 (E_RNA) where: Base-Base interactions energy: -17.629 where: short stacking energy: -15.064 Base-Backbone interact. energy: -0.250 local terms energy: -31.778681 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.747 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: 8, replica: 3 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -50.773014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.773014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.773014 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -20.482 Base-Backbone interact. energy: -0.001 local terms energy: -28.932227 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -1.805 tors. eta vs tors. theta energy: -5.383 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: 196 Temperature: 1.300000 Total energy: -44.309499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.309499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.309499 (E_RNA) where: Base-Base interactions energy: -19.569 where: short stacking energy: -19.569 Base-Backbone interact. energy: -0.002 local terms energy: -24.738212 where: bonds (distance) C4'-P energy: -3.891 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.502 flat angles P-C4'-P energy: -4.687 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: 10, replica: 9 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -43.910154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.910154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.910154 (E_RNA) where: Base-Base interactions energy: -17.291 where: short stacking energy: -17.291 Base-Backbone interact. energy: -0.034 local terms energy: -26.585285 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -80.428666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.428666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.428666 (E_RNA) where: Base-Base interactions energy: -44.865 where: short stacking energy: -26.483 Base-Backbone interact. energy: 0.084 local terms energy: -35.646972 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -2.483 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: 2, replica: 6 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -61.493305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.493305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.493305 (E_RNA) where: Base-Base interactions energy: -27.693 where: short stacking energy: -27.693 Base-Backbone interact. energy: -0.002 local terms energy: -33.798212 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -4.257 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: 3, replica: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -62.295713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.295713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.295713 (E_RNA) where: Base-Base interactions energy: -28.722 where: short stacking energy: -28.722 Base-Backbone interact. energy: -0.099 local terms energy: -33.474668 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.917 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: 4, replica: 10 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -52.193175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.193175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.193175 (E_RNA) where: Base-Base interactions energy: -19.491 where: short stacking energy: -19.491 Base-Backbone interact. energy: -0.000 local terms energy: -32.701504 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -9.009 flat angles P-C4'-P energy: -2.907 tors. eta vs tors. theta energy: -4.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -52.506682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.506682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.506682 (E_RNA) where: Base-Base interactions energy: -24.966 where: short stacking energy: -24.966 Base-Backbone interact. energy: -0.001 local terms energy: -27.539223 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -4.318 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -2.323 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: 6, replica: 1 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -46.774678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.774678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.774678 (E_RNA) where: Base-Base interactions energy: -19.112 where: short stacking energy: -15.352 Base-Backbone interact. energy: -0.022 local terms energy: -27.640672 where: bonds (distance) C4'-P energy: -5.836 bonds (distance) P-C4' energy: -6.303 flat angles C4'-P-C4' energy: -8.172 flat angles P-C4'-P energy: -6.340 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: 7, replica: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -48.187280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.187280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.187280 (E_RNA) where: Base-Base interactions energy: -14.566 where: short stacking energy: -14.566 Base-Backbone interact. energy: -0.000 local terms energy: -33.621409 where: bonds (distance) C4'-P energy: -4.223 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -6.415 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: 8, replica: 2 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -47.664157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.664157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.664157 (E_RNA) where: Base-Base interactions energy: -18.253 where: short stacking energy: -13.555 Base-Backbone interact. energy: 0.184 local terms energy: -29.595729 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -2.073 tors. eta vs tors. theta energy: -2.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -41.903600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.903600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.903600 (E_RNA) where: Base-Base interactions energy: -15.849 where: short stacking energy: -15.849 Base-Backbone interact. energy: -0.125 local terms energy: -25.929088 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -2.123 flat angles C4'-P-C4' energy: -7.880 flat angles P-C4'-P energy: -6.596 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: 9 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -44.996669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.996669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.996669 (E_RNA) where: Base-Base interactions energy: -18.460 where: short stacking energy: -18.460 Base-Backbone interact. energy: -0.002 local terms energy: -26.534779 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -5.801 flat angles C4'-P-C4' energy: -5.279 flat angles P-C4'-P energy: -4.896 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -68.083456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.083456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.083456 (E_RNA) where: Base-Base interactions energy: -28.621 where: short stacking energy: -26.373 Base-Backbone interact. energy: -0.014 local terms energy: -39.448866 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -6.187 tors. eta vs tors. theta energy: -7.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -74.217493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.217493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.217493 (E_RNA) where: Base-Base interactions energy: -40.808 where: short stacking energy: -27.499 Base-Backbone interact. energy: -0.000 local terms energy: -33.409603 where: bonds (distance) C4'-P energy: -7.021 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -8.269 flat angles P-C4'-P energy: -6.314 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: 3, replica: 10 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -52.819808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.819808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.819808 (E_RNA) where: Base-Base interactions energy: -27.909 where: short stacking energy: -18.101 Base-Backbone interact. energy: 1.257 local terms energy: -26.167109 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.727 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -0.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -55.348298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.348298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.348298 (E_RNA) where: Base-Base interactions energy: -29.403 where: short stacking energy: -12.844 Base-Backbone interact. energy: -1.125 local terms energy: -24.820565 where: bonds (distance) C4'-P energy: -4.755 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -65.475582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.475582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.475582 (E_RNA) where: Base-Base interactions energy: -37.248 where: short stacking energy: -16.460 Base-Backbone interact. energy: -0.056 local terms energy: -28.171447 where: bonds (distance) C4'-P energy: -7.811 bonds (distance) P-C4' energy: -6.834 flat angles C4'-P-C4' energy: -4.466 flat angles P-C4'-P energy: -4.778 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: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -54.044644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.044644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.044644 (E_RNA) where: Base-Base interactions energy: -22.179 where: short stacking energy: -22.179 Base-Backbone interact. energy: -0.084 local terms energy: -31.781740 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -5.851 flat angles P-C4'-P energy: -5.114 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: 7, replica: 2 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -46.040836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.040836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.040836 (E_RNA) where: Base-Base interactions energy: -18.781 where: short stacking energy: -18.781 Base-Backbone interact. energy: -0.058 local terms energy: -27.201439 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.798 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -5.220 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: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -43.849102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.849102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.849102 (E_RNA) where: Base-Base interactions energy: -15.269 where: short stacking energy: -6.467 Base-Backbone interact. energy: -0.263 local terms energy: -28.317836 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -0.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -45.899506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.899506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.899506 (E_RNA) where: Base-Base interactions energy: -15.798 where: short stacking energy: -15.189 Base-Backbone interact. energy: -0.003 local terms energy: -30.098316 where: bonds (distance) C4'-P energy: -6.844 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -2.991 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: 10, replica: 3 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -39.572764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.572764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.572764 (E_RNA) where: Base-Base interactions energy: -17.760 where: short stacking energy: -17.760 Base-Backbone interact. energy: -0.086 local terms energy: -21.727046 where: bonds (distance) C4'-P energy: -4.933 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -5.037 flat angles P-C4'-P energy: -4.548 tors. eta vs tors. theta energy: 1.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -66.649585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.649585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.649585 (E_RNA) where: Base-Base interactions energy: -29.587 where: short stacking energy: -29.587 Base-Backbone interact. energy: -0.000 local terms energy: -37.062918 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.889 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -9.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -66.867617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.867617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.867617 (E_RNA) where: Base-Base interactions energy: -32.098 where: short stacking energy: -17.333 Base-Backbone interact. energy: -0.000 local terms energy: -34.769399 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.036 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -63.749896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.749896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.749896 (E_RNA) where: Base-Base interactions energy: -31.719 where: short stacking energy: -19.080 Base-Backbone interact. energy: -0.098 local terms energy: -31.932479 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -6.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -67.066450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.066450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.066450 (E_RNA) where: Base-Base interactions energy: -34.287 where: short stacking energy: -22.467 Base-Backbone interact. energy: -0.095 local terms energy: -32.684144 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.790 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: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -53.278656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.278656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.278656 (E_RNA) where: Base-Base interactions energy: -21.230 where: short stacking energy: -17.256 Base-Backbone interact. energy: -0.093 local terms energy: -31.955916 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -5.690 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -6.103 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: 2 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -41.723216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.723216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.723216 (E_RNA) where: Base-Base interactions energy: -15.465 where: short stacking energy: -13.822 Base-Backbone interact. energy: -0.019 local terms energy: -26.239325 where: bonds (distance) C4'-P energy: -7.935 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.742 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -0.576 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: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -51.876462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.876462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.876462 (E_RNA) where: Base-Base interactions energy: -25.727 where: short stacking energy: -20.457 Base-Backbone interact. energy: -0.002 local terms energy: -26.147133 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -4.863 flat angles P-C4'-P energy: -4.926 tors. eta vs tors. theta energy: -3.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -50.383289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.383289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.383289 (E_RNA) where: Base-Base interactions energy: -22.038 where: short stacking energy: -17.059 Base-Backbone interact. energy: -0.021 local terms energy: -28.324273 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -5.702 flat angles C4'-P-C4' energy: -9.480 flat angles P-C4'-P energy: -4.086 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -41.858448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.858448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.858448 (E_RNA) where: Base-Base interactions energy: -13.306 where: short stacking energy: -13.306 Base-Backbone interact. energy: -0.013 local terms energy: -28.539541 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -5.404 flat angles C4'-P-C4' energy: -6.486 flat angles P-C4'-P energy: -5.840 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: 10, replica: 3 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -45.921007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.921007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.921007 (E_RNA) where: Base-Base interactions energy: -19.458 where: short stacking energy: -9.600 Base-Backbone interact. energy: -0.009 local terms energy: -26.453859 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -8.684 flat angles P-C4'-P energy: -3.569 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: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -72.986390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.986390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.986390 (E_RNA) where: Base-Base interactions energy: -33.011 where: short stacking energy: -33.011 Base-Backbone interact. energy: -0.019 local terms energy: -39.955676 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -55.694597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.694597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.694597 (E_RNA) where: Base-Base interactions energy: -25.973 where: short stacking energy: -22.865 Base-Backbone interact. energy: 0.331 local terms energy: -30.053110 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: -5.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -67.665426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.665426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.665426 (E_RNA) where: Base-Base interactions energy: -35.827 where: short stacking energy: -19.657 Base-Backbone interact. energy: -0.033 local terms energy: -31.804814 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.047 flat angles P-C4'-P energy: -5.376 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: 4, replica: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -51.477258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.477258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.477258 (E_RNA) where: Base-Base interactions energy: -21.018 where: short stacking energy: -19.958 Base-Backbone interact. energy: -0.003 local terms energy: -30.456492 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -5.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -58.524075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.524075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.524075 (E_RNA) where: Base-Base interactions energy: -26.368 where: short stacking energy: -26.368 Base-Backbone interact. energy: -0.002 local terms energy: -32.154665 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.165 flat angles P-C4'-P energy: -5.266 tors. eta vs tors. theta energy: -9.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -54.680827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.680827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.680827 (E_RNA) where: Base-Base interactions energy: -23.049 where: short stacking energy: -23.049 Base-Backbone interact. energy: -0.067 local terms energy: -31.565458 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -5.677 flat angles P-C4'-P energy: -3.954 tors. eta vs tors. theta energy: -6.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -46.794969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.794969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.794969 (E_RNA) where: Base-Base interactions energy: -16.093 where: short stacking energy: -16.093 Base-Backbone interact. energy: -0.078 local terms energy: -30.623310 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -5.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -54.152717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.152717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.152717 (E_RNA) where: Base-Base interactions energy: -23.821 where: short stacking energy: -20.678 Base-Backbone interact. energy: 0.161 local terms energy: -30.492426 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -7.438 flat angles C4'-P-C4' energy: -5.363 flat angles P-C4'-P energy: -3.288 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: 9, replica: 3 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -45.581948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.581948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.581948 (E_RNA) where: Base-Base interactions energy: -16.449 where: short stacking energy: -16.422 Base-Backbone interact. energy: -0.104 local terms energy: -29.028887 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.995 flat angles P-C4'-P energy: -4.781 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: 10, replica: 5 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -41.322366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.322366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.322366 (E_RNA) where: Base-Base interactions energy: -14.039 where: short stacking energy: -11.503 Base-Backbone interact. energy: -0.086 local terms energy: -27.196920 where: bonds (distance) C4'-P energy: -7.819 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.125 flat angles P-C4'-P energy: -4.008 tors. eta vs tors. theta energy: 0.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -61.610380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.610380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.610380 (E_RNA) where: Base-Base interactions energy: -26.218 where: short stacking energy: -26.218 Base-Backbone interact. energy: -0.001 local terms energy: -35.390984 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -6.851 flat angles P-C4'-P energy: -6.765 tors. eta vs tors. theta energy: -5.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -60.670464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.670464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.670464 (E_RNA) where: Base-Base interactions energy: -24.988 where: short stacking energy: -19.478 Base-Backbone interact. energy: -0.067 local terms energy: -35.615145 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -58.512619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.512619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.512619 (E_RNA) where: Base-Base interactions energy: -26.633 where: short stacking energy: -23.678 Base-Backbone interact. energy: -0.110 local terms energy: -31.769333 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -60.256471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.256471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.256471 (E_RNA) where: Base-Base interactions energy: -26.299 where: short stacking energy: -26.299 Base-Backbone interact. energy: -0.000 local terms energy: -33.957024 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -4.710 tors. eta vs tors. theta energy: -6.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -44.517410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.517410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.517410 (E_RNA) where: Base-Base interactions energy: -15.160 where: short stacking energy: -12.392 Base-Backbone interact. energy: -0.042 local terms energy: -29.314955 where: bonds (distance) C4'-P energy: -7.161 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -6.832 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: 6, replica: 9 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -51.159704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.159704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.159704 (E_RNA) where: Base-Base interactions energy: -20.429 where: short stacking energy: -20.429 Base-Backbone interact. energy: -0.026 local terms energy: -30.705023 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -3.685 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -49.842802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.842802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.842802 (E_RNA) where: Base-Base interactions energy: -18.367 where: short stacking energy: -18.367 Base-Backbone interact. energy: -0.001 local terms energy: -31.475153 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -7.312 flat angles P-C4'-P energy: -4.949 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: 3 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -43.966226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.966226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.966226 (E_RNA) where: Base-Base interactions energy: -20.958 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.004 local terms energy: -23.004102 where: bonds (distance) C4'-P energy: -6.181 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -3.140 tors. eta vs tors. theta energy: 0.714 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: 9, replica: 7 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -45.884814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.884814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.884814 (E_RNA) where: Base-Base interactions energy: -14.521 where: short stacking energy: -14.521 Base-Backbone interact. energy: -0.050 local terms energy: -31.313577 where: bonds (distance) C4'-P energy: -6.958 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -5.164 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: 5 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -45.313680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.313680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.313680 (E_RNA) where: Base-Base interactions energy: -18.566 where: short stacking energy: -17.450 Base-Backbone interact. energy: -0.319 local terms energy: -26.429326 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -6.043 flat angles P-C4'-P energy: -4.338 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: 1, replica: 1 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -72.836073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.836073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.836073 (E_RNA) where: Base-Base interactions energy: -39.075 where: short stacking energy: -21.257 Base-Backbone interact. energy: -0.032 local terms energy: -33.729191 where: bonds (distance) C4'-P energy: -5.253 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -6.616 tors. eta vs tors. theta energy: -4.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -61.647892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.647892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.647892 (E_RNA) where: Base-Base interactions energy: -27.647 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.003 local terms energy: -33.998657 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -4.708 flat angles P-C4'-P energy: -4.362 tors. eta vs tors. theta energy: -8.479 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: 2 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -55.535682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.535682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.535682 (E_RNA) where: Base-Base interactions energy: -22.401 where: short stacking energy: -22.401 Base-Backbone interact. energy: -0.001 local terms energy: -33.133716 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.837 flat angles P-C4'-P energy: -4.734 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -52.426492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.426492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.426492 (E_RNA) where: Base-Base interactions energy: -18.736 where: short stacking energy: -18.736 Base-Backbone interact. energy: -0.000 local terms energy: -33.690424 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -9.582 flat angles P-C4'-P energy: -4.504 tors. eta vs tors. theta energy: -5.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -54.044571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.044571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.044571 (E_RNA) where: Base-Base interactions energy: -21.732 where: short stacking energy: -21.732 Base-Backbone interact. energy: -0.000 local terms energy: -32.312682 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.946 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -3.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -45.264442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.264442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.264442 (E_RNA) where: Base-Base interactions energy: -15.874 where: short stacking energy: -13.168 Base-Backbone interact. energy: -0.007 local terms energy: -29.383146 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -5.620 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: 7, replica: 3 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -51.229052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.229052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.229052 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.000 local terms energy: -28.694772 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -3.638 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: 8, replica: 4 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -42.973579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.973579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.973579 (E_RNA) where: Base-Base interactions energy: -11.247 where: short stacking energy: -11.247 Base-Backbone interact. energy: -0.000 local terms energy: -31.726189 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -1.191 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: 9, replica: 5 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -42.222711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.222711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.222711 (E_RNA) where: Base-Base interactions energy: -11.070 where: short stacking energy: -11.070 Base-Backbone interact. energy: -0.038 local terms energy: -31.114666 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.294 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: 7 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -42.054853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.054853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.054853 (E_RNA) where: Base-Base interactions energy: -11.191 where: short stacking energy: -11.191 Base-Backbone interact. energy: -0.132 local terms energy: -30.732028 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.090 flat angles P-C4'-P energy: -5.027 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: 1, replica: 1 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -67.139379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.139379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.139379 (E_RNA) where: Base-Base interactions energy: -41.190 where: short stacking energy: -19.689 Base-Backbone interact. energy: -0.064 local terms energy: -25.885750 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -5.630 flat angles P-C4'-P energy: -2.116 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: 2, replica: 6 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -57.745027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.745027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.745027 (E_RNA) where: Base-Base interactions energy: -28.197 where: short stacking energy: -28.197 Base-Backbone interact. energy: -0.022 local terms energy: -29.526282 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.716 flat angles P-C4'-P energy: -1.882 tors. eta vs tors. theta energy: -5.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -50.751418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.751418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.751418 (E_RNA) where: Base-Base interactions energy: -16.010 where: short stacking energy: -16.010 Base-Backbone interact. energy: -0.009 local terms energy: -34.732788 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.969 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: 4, replica: 8 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -57.148984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.148984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.148984 (E_RNA) where: Base-Base interactions energy: -23.260 where: short stacking energy: -23.260 Base-Backbone interact. energy: -0.001 local terms energy: -33.888458 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -6.792 tors. eta vs tors. theta energy: -7.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -56.022371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.022371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.022371 (E_RNA) where: Base-Base interactions energy: -24.754 where: short stacking energy: -24.754 Base-Backbone interact. energy: -0.000 local terms energy: -31.267973 where: bonds (distance) C4'-P energy: -6.048 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -5.927 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: 6, replica: 10 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -44.963411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.963411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.963411 (E_RNA) where: Base-Base interactions energy: -17.941 where: short stacking energy: -17.629 Base-Backbone interact. energy: -0.001 local terms energy: -27.022166 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.452 flat angles P-C4'-P energy: -4.116 tors. eta vs tors. theta energy: -2.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -47.299812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.299812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.299812 (E_RNA) where: Base-Base interactions energy: -18.206 where: short stacking energy: -18.206 Base-Backbone interact. energy: -0.168 local terms energy: -28.926159 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -8.630 flat angles P-C4'-P energy: -1.784 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: 8, replica: 5 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -53.301440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.301440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.301440 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.047 local terms energy: -29.861482 where: bonds (distance) C4'-P energy: -4.342 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.819 tors. eta vs tors. theta energy: -7.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -41.778442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.778442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.778442 (E_RNA) where: Base-Base interactions energy: -22.971 where: short stacking energy: -12.858 Base-Backbone interact. energy: -0.545 local terms energy: -18.262042 where: bonds (distance) C4'-P energy: -2.538 bonds (distance) P-C4' energy: -4.035 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -1.947 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: 10, replica: 7 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -43.299585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.299585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.299585 (E_RNA) where: Base-Base interactions energy: -16.538 where: short stacking energy: -16.538 Base-Backbone interact. energy: -0.000 local terms energy: -26.761658 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -3.803 flat angles P-C4'-P energy: -7.812 tors. eta vs tors. theta energy: -2.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -82.529635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.529635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.529635 (E_RNA) where: Base-Base interactions energy: -48.817 where: short stacking energy: -25.320 Base-Backbone interact. energy: -0.001 local terms energy: -33.712320 where: bonds (distance) C4'-P energy: -7.328 bonds (distance) P-C4' energy: -5.889 flat angles C4'-P-C4' energy: -8.793 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -62.685898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.685898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.685898 (E_RNA) where: Base-Base interactions energy: -28.235 where: short stacking energy: -28.235 Base-Backbone interact. energy: -0.018 local terms energy: -34.432201 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -7.253 tors. eta vs tors. theta energy: -7.017 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: 204 Temperature: 1.000000 Total energy: -62.600274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.600274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.600274 (E_RNA) where: Base-Base interactions energy: -27.872 where: short stacking energy: -27.872 Base-Backbone interact. energy: -0.000 local terms energy: -34.728137 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -6.708 flat angles P-C4'-P energy: -5.025 tors. eta vs tors. theta energy: -9.641 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: 4, replica: 2 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -51.880856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.880856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.880856 (E_RNA) where: Base-Base interactions energy: -20.232 where: short stacking energy: -20.232 Base-Backbone interact. energy: -0.062 local terms energy: -31.586224 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -3.383 flat angles P-C4'-P energy: -7.462 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: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -46.127086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.127086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.127086 (E_RNA) where: Base-Base interactions energy: -17.947 where: short stacking energy: -15.032 Base-Backbone interact. energy: -0.035 local terms energy: -28.144645 where: bonds (distance) C4'-P energy: -6.196 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -6.930 flat angles P-C4'-P energy: -4.128 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: 6, replica: 10 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -50.620069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.620069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.620069 (E_RNA) where: Base-Base interactions energy: -23.408 where: short stacking energy: -12.177 Base-Backbone interact. energy: -0.057 local terms energy: -27.155162 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -4.919 flat angles P-C4'-P energy: -3.969 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: 7, replica: 3 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -51.644554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.644554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.644554 (E_RNA) where: Base-Base interactions energy: -19.703 where: short stacking energy: -19.285 Base-Backbone interact. energy: -0.002 local terms energy: -31.939172 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.334 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -5.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -46.886805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.886805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.886805 (E_RNA) where: Base-Base interactions energy: -18.468 where: short stacking energy: -18.468 Base-Backbone interact. energy: -0.093 local terms energy: -28.326066 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -2.857 flat angles C4'-P-C4' energy: -4.197 flat angles P-C4'-P energy: -6.574 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: 9, replica: 7 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -40.878460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.878460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.878460 (E_RNA) where: Base-Base interactions energy: -13.256 where: short stacking energy: -13.256 Base-Backbone interact. energy: -0.066 local terms energy: -27.556691 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -43.073797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.073797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.073797 (E_RNA) where: Base-Base interactions energy: -14.398 where: short stacking energy: -14.398 Base-Backbone interact. energy: -0.008 local terms energy: -28.668295 where: bonds (distance) C4'-P energy: -4.553 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -5.547 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -67.371435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.371435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.371435 (E_RNA) where: Base-Base interactions energy: -34.528 where: short stacking energy: -24.506 Base-Backbone interact. energy: -0.295 local terms energy: -32.548545 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.720 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: 2, replica: 8 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -61.141359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.141359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.141359 (E_RNA) where: Base-Base interactions energy: -24.821 where: short stacking energy: -24.821 Base-Backbone interact. energy: -0.000 local terms energy: -36.320586 where: bonds (distance) C4'-P energy: -6.542 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -5.636 tors. eta vs tors. theta energy: -8.106 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: 205 Temperature: 1.000000 Total energy: -72.089639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.089639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.089639 (E_RNA) where: Base-Base interactions energy: -30.812 where: short stacking energy: -30.812 Base-Backbone interact. energy: -0.000 local terms energy: -41.278048 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -6.761 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: 4, replica: 9 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -68.121715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.121715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.121715 (E_RNA) where: Base-Base interactions energy: -29.490 where: short stacking energy: -29.490 Base-Backbone interact. energy: -0.000 local terms energy: -38.631884 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.418 flat angles P-C4'-P energy: -5.760 tors. eta vs tors. theta energy: -8.959 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: 2 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -54.245688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.245688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.245688 (E_RNA) where: Base-Base interactions energy: -23.610 where: short stacking energy: -23.610 Base-Backbone interact. energy: 0.421 local terms energy: -31.056680 where: bonds (distance) C4'-P energy: -5.705 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.938 flat angles P-C4'-P energy: -2.922 tors. eta vs tors. theta energy: -6.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -48.727416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.727416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.727416 (E_RNA) where: Base-Base interactions energy: -19.106 where: short stacking energy: -19.106 Base-Backbone interact. energy: 0.647 local terms energy: -30.268123 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -4.998 tors. eta vs tors. theta energy: -3.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -47.746451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.746451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.746451 (E_RNA) where: Base-Base interactions energy: -13.854 where: short stacking energy: -13.854 Base-Backbone interact. energy: -0.020 local terms energy: -33.872376 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.764 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -38.395573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.395573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.395573 (E_RNA) where: Base-Base interactions energy: -17.072 where: short stacking energy: -12.206 Base-Backbone interact. energy: -0.019 local terms energy: -21.304768 where: bonds (distance) C4'-P energy: -1.560 bonds (distance) P-C4' energy: -6.241 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.191 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: 5 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -42.937974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.937974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.937974 (E_RNA) where: Base-Base interactions energy: -15.070 where: short stacking energy: -15.312 Base-Backbone interact. energy: -0.685 local terms energy: -27.183111 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -2.244 flat angles P-C4'-P energy: -3.733 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: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -43.672090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.672090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.672090 (E_RNA) where: Base-Base interactions energy: -13.887 where: short stacking energy: -13.887 Base-Backbone interact. energy: -0.001 local terms energy: -29.784123 where: bonds (distance) C4'-P energy: -5.468 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.279 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -5.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -54.327265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.327265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.327265 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.098 Base-Backbone interact. energy: -0.019 local terms energy: -30.467799 where: bonds (distance) C4'-P energy: -7.159 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -1.693 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -59.555115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.555115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.555115 (E_RNA) where: Base-Base interactions energy: -28.972 where: short stacking energy: -23.719 Base-Backbone interact. energy: -0.100 local terms energy: -30.483173 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -7.171 flat angles C4'-P-C4' energy: -8.296 flat angles P-C4'-P energy: -3.648 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: 3, replica: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -65.437880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.437880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.437880 (E_RNA) where: Base-Base interactions energy: -28.467 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.000 local terms energy: -36.971241 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -5.259 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -6.152 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: 9 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -57.956902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.956902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.956902 (E_RNA) where: Base-Base interactions energy: -25.804 where: short stacking energy: -25.804 Base-Backbone interact. energy: -0.010 local terms energy: -32.143180 where: bonds (distance) C4'-P energy: -2.289 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.167 flat angles P-C4'-P energy: -6.454 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -51.794911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.794911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.794911 (E_RNA) where: Base-Base interactions energy: -20.367 where: short stacking energy: -20.367 Base-Backbone interact. energy: -0.960 local terms energy: -30.467386 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -2.296 tors. eta vs tors. theta energy: -6.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -51.943292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.943292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.943292 (E_RNA) where: Base-Base interactions energy: -22.215 where: short stacking energy: -22.215 Base-Backbone interact. energy: -0.047 local terms energy: -29.681738 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -6.456 flat angles C4'-P-C4' energy: -8.455 flat angles P-C4'-P energy: -2.564 tors. eta vs tors. theta energy: -4.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -47.596762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.596762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.596762 (E_RNA) where: Base-Base interactions energy: -22.823 where: short stacking energy: -22.823 Base-Backbone interact. energy: -0.001 local terms energy: -24.773574 where: bonds (distance) C4'-P energy: -1.312 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -3.911 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -6.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -45.818228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.818228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.818228 (E_RNA) where: Base-Base interactions energy: -19.253 where: short stacking energy: -19.253 Base-Backbone interact. energy: -0.003 local terms energy: -26.562096 where: bonds (distance) C4'-P energy: -5.385 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -40.677471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.677471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.677471 (E_RNA) where: Base-Base interactions energy: -14.267 where: short stacking energy: -12.877 Base-Backbone interact. energy: -0.203 local terms energy: -26.206893 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.548 flat angles P-C4'-P energy: -4.010 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: 10, replica: 5 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -57.792645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.792645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.792645 (E_RNA) where: Base-Base interactions energy: -32.867 where: short stacking energy: -18.980 Base-Backbone interact. energy: -0.000 local terms energy: -24.925863 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -0.645 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: 8 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -69.231941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.231941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.231941 (E_RNA) where: Base-Base interactions energy: -37.798 where: short stacking energy: -25.937 Base-Backbone interact. energy: -0.005 local terms energy: -31.428826 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -7.146 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -57.824854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.824854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.824854 (E_RNA) where: Base-Base interactions energy: -23.157 where: short stacking energy: -23.157 Base-Backbone interact. energy: -0.002 local terms energy: -34.665154 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.613 flat angles P-C4'-P energy: -5.421 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: 1 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -52.636662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.636662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.636662 (E_RNA) where: Base-Base interactions energy: -20.798 where: short stacking energy: -20.798 Base-Backbone interact. energy: -0.713 local terms energy: -31.125543 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.287 flat angles P-C4'-P energy: -4.370 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: 4, replica: 9 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -56.824426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.824426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.824426 (E_RNA) where: Base-Base interactions energy: -22.505 where: short stacking energy: -22.505 Base-Backbone interact. energy: -0.012 local terms energy: -34.307701 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -8.314 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -7.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -53.096455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.096455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.096455 (E_RNA) where: Base-Base interactions energy: -19.992 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.001 local terms energy: -33.104035 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -5.889 flat angles P-C4'-P energy: -4.451 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: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -45.028190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.028190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.028190 (E_RNA) where: Base-Base interactions energy: -14.875 where: short stacking energy: -14.381 Base-Backbone interact. energy: -0.156 local terms energy: -29.996531 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.021 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: 207 Temperature: 1.200000 Total energy: -47.728726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.728726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.728726 (E_RNA) where: Base-Base interactions energy: -16.677 where: short stacking energy: -16.522 Base-Backbone interact. energy: -0.062 local terms energy: -30.989323 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -2.579 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -5.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -48.071247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.071247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.071247 (E_RNA) where: Base-Base interactions energy: -20.788 where: short stacking energy: -20.788 Base-Backbone interact. energy: -0.050 local terms energy: -27.233356 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -0.967 tors. eta vs tors. theta energy: -3.052 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: 9, replica: 10 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -49.842743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.842743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.842743 (E_RNA) where: Base-Base interactions energy: -17.972 where: short stacking energy: -16.091 Base-Backbone interact. energy: 0.654 local terms energy: -32.524255 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.140 flat angles P-C4'-P energy: -6.844 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: 10, replica: 5 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -41.939099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.939099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.939099 (E_RNA) where: Base-Base interactions energy: -13.883 where: short stacking energy: -13.830 Base-Backbone interact. energy: -0.418 local terms energy: -27.637477 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.095 flat angles P-C4'-P energy: -5.805 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: 1, replica: 8 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -64.987243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.987243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.987243 (E_RNA) where: Base-Base interactions energy: -31.955 where: short stacking energy: -26.053 Base-Backbone interact. energy: -0.339 local terms energy: -32.693651 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -59.942168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.942168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.942168 (E_RNA) where: Base-Base interactions energy: -24.202 where: short stacking energy: -24.096 Base-Backbone interact. energy: -0.009 local terms energy: -35.731152 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -5.731 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -50.993737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.993737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.993737 (E_RNA) where: Base-Base interactions energy: -18.280 where: short stacking energy: -18.142 Base-Backbone interact. energy: -0.001 local terms energy: -32.712612 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -5.104 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: 4, replica: 1 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -70.969230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.969230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.969230 (E_RNA) where: Base-Base interactions energy: -37.676 where: short stacking energy: -30.010 Base-Backbone interact. energy: -0.000 local terms energy: -33.293162 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -6.812 flat angles C4'-P-C4' energy: -7.596 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -9.515 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: 7 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -49.585263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.585263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.585263 (E_RNA) where: Base-Base interactions energy: -17.288 where: short stacking energy: -15.395 Base-Backbone interact. energy: -0.152 local terms energy: -32.145225 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -8.612 flat angles P-C4'-P energy: -3.734 tors. eta vs tors. theta energy: -5.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -51.213890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.213890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.213890 (E_RNA) where: Base-Base interactions energy: -23.029 where: short stacking energy: -21.571 Base-Backbone interact. energy: 0.518 local terms energy: -28.702483 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.575 flat angles P-C4'-P energy: -2.479 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: 7, replica: 4 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -48.998912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.998912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.998912 (E_RNA) where: Base-Base interactions energy: -15.792 where: short stacking energy: -15.792 Base-Backbone interact. energy: -0.052 local terms energy: -33.155291 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.153 flat angles P-C4'-P energy: -4.657 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: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -47.396379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.396379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.396379 (E_RNA) where: Base-Base interactions energy: -17.014 where: short stacking energy: -17.014 Base-Backbone interact. energy: -0.173 local terms energy: -30.209669 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.756 flat angles P-C4'-P energy: -3.130 tors. eta vs tors. theta energy: -1.992 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: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -42.538077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.538077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.538077 (E_RNA) where: Base-Base interactions energy: -14.105 where: short stacking energy: -14.105 Base-Backbone interact. energy: -0.009 local terms energy: -28.423471 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -5.509 flat angles C4'-P-C4' energy: -7.651 flat angles P-C4'-P energy: -4.455 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -40.990612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.990612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.990612 (E_RNA) where: Base-Base interactions energy: -18.662 where: short stacking energy: -18.662 Base-Backbone interact. energy: -0.017 local terms energy: -22.311103 where: bonds (distance) C4'-P energy: -6.429 bonds (distance) P-C4' energy: -2.531 flat angles C4'-P-C4' energy: -4.354 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -3.432 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: 1, replica: 8 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -62.879149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.879149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.879149 (E_RNA) where: Base-Base interactions energy: -25.671 where: short stacking energy: -23.835 Base-Backbone interact. energy: -0.496 local terms energy: -36.712547 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -8.467 flat angles P-C4'-P energy: -7.237 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -80.898944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.898944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.898944 (E_RNA) where: Base-Base interactions energy: -49.338 where: short stacking energy: -27.640 Base-Backbone interact. energy: -0.001 local terms energy: -31.559681 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -6.118 flat angles C4'-P-C4' energy: -5.610 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -7.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -53.084874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.084874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.084874 (E_RNA) where: Base-Base interactions energy: -24.331 where: short stacking energy: -24.331 Base-Backbone interact. energy: -0.003 local terms energy: -28.751138 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -9.237 flat angles P-C4'-P energy: -0.286 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -54.432233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.432233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.432233 (E_RNA) where: Base-Base interactions energy: -20.674 where: short stacking energy: -20.749 Base-Backbone interact. energy: -0.119 local terms energy: -33.639421 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.952 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -60.116107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.116107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.116107 (E_RNA) where: Base-Base interactions energy: -23.427 where: short stacking energy: -23.427 Base-Backbone interact. energy: -0.000 local terms energy: -36.689148 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -6.158 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: 209 Temperature: 1.150000 Total energy: -47.278287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.278287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.278287 (E_RNA) where: Base-Base interactions energy: -16.588 where: short stacking energy: -14.206 Base-Backbone interact. energy: -0.001 local terms energy: -30.688634 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -4.337 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -48.282898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.282898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.282898 (E_RNA) where: Base-Base interactions energy: -18.111 where: short stacking energy: -18.111 Base-Backbone interact. energy: -0.000 local terms energy: -30.172040 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -3.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -41.183713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.183713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.183713 (E_RNA) where: Base-Base interactions energy: -17.564 where: short stacking energy: -17.564 Base-Backbone interact. energy: -0.119 local terms energy: -23.500437 where: bonds (distance) C4'-P energy: -4.939 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -3.300 flat angles P-C4'-P energy: -4.206 tors. eta vs tors. theta energy: -4.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -40.672526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.672526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.672526 (E_RNA) where: Base-Base interactions energy: -14.718 where: short stacking energy: -12.227 Base-Backbone interact. energy: -0.057 local terms energy: -25.897940 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: 0.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -40.691783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.691783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.691783 (E_RNA) where: Base-Base interactions energy: -12.406 where: short stacking energy: -12.040 Base-Backbone interact. energy: -0.002 local terms energy: -28.283824 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -5.922 tors. eta vs tors. theta energy: -1.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -78.728599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.728599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.728599 (E_RNA) where: Base-Base interactions energy: -42.565 where: short stacking energy: -28.787 Base-Backbone interact. energy: -0.001 local terms energy: -36.162589 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.596 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -61.592965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.592965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.592965 (E_RNA) where: Base-Base interactions energy: -27.617 where: short stacking energy: -26.528 Base-Backbone interact. energy: -0.000 local terms energy: -33.976026 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -4.957 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: 3, replica: 1 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -58.591088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.591088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.591088 (E_RNA) where: Base-Base interactions energy: -26.014 where: short stacking energy: -21.319 Base-Backbone interact. energy: -0.125 local terms energy: -32.452128 where: bonds (distance) C4'-P energy: -7.654 bonds (distance) P-C4' energy: -5.454 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -7.717 tors. eta vs tors. theta energy: -4.432 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: 4, replica: 6 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -62.128455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.128455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.128455 (E_RNA) where: Base-Base interactions energy: -27.467 where: short stacking energy: -27.352 Base-Backbone interact. energy: -0.003 local terms energy: -34.658371 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -62.706258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.706258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.706258 (E_RNA) where: Base-Base interactions energy: -25.479 where: short stacking energy: -25.479 Base-Backbone interact. energy: -0.000 local terms energy: -37.227142 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -2.548 tors. eta vs tors. theta energy: -8.391 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: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -53.042658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.042658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.042658 (E_RNA) where: Base-Base interactions energy: -20.496 where: short stacking energy: -16.632 Base-Backbone interact. energy: -0.210 local terms energy: -32.335893 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -3.736 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: 7, replica: 3 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -50.397705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.397705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.397705 (E_RNA) where: Base-Base interactions energy: -26.156 where: short stacking energy: -22.194 Base-Backbone interact. energy: -0.016 local terms energy: -24.225634 where: bonds (distance) C4'-P energy: -4.135 bonds (distance) P-C4' energy: -4.262 flat angles C4'-P-C4' energy: -3.874 flat angles P-C4'-P energy: -6.601 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: 8, replica: 2 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -49.397930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.397930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.397930 (E_RNA) where: Base-Base interactions energy: -21.367 where: short stacking energy: -17.936 Base-Backbone interact. energy: -0.000 local terms energy: -28.030999 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -4.625 flat angles C4'-P-C4' energy: -5.880 flat angles P-C4'-P energy: -4.373 tors. eta vs tors. theta energy: -6.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -49.752178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.752178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.752178 (E_RNA) where: Base-Base interactions energy: -15.015 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.057 local terms energy: -34.679934 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.899 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -4.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -46.473140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.473140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.473140 (E_RNA) where: Base-Base interactions energy: -15.673 where: short stacking energy: -15.673 Base-Backbone interact. energy: -0.000 local terms energy: -30.800548 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -2.394 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -77.927410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.927410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.927410 (E_RNA) where: Base-Base interactions energy: -44.245 where: short stacking energy: -18.773 Base-Backbone interact. energy: -0.531 local terms energy: -33.151605 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -9.268 flat angles P-C4'-P energy: -5.010 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: 2, replica: 1 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -61.478988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.478988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.478988 (E_RNA) where: Base-Base interactions energy: -24.139 where: short stacking energy: -24.139 Base-Backbone interact. energy: -0.000 local terms energy: -37.340416 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -7.028 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -56.986394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.986394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.986394 (E_RNA) where: Base-Base interactions energy: -29.240 where: short stacking energy: -19.410 Base-Backbone interact. energy: 0.424 local terms energy: -28.170581 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -6.643 flat angles C4'-P-C4' energy: -6.722 flat angles P-C4'-P energy: -4.465 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: 4, replica: 6 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -68.418963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.418963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.418963 (E_RNA) where: Base-Base interactions energy: -38.687 where: short stacking energy: -21.018 Base-Backbone interact. energy: -0.010 local terms energy: -29.722244 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -2.058 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: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -54.502181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.502181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.502181 (E_RNA) where: Base-Base interactions energy: -21.489 where: short stacking energy: -21.318 Base-Backbone interact. energy: -0.148 local terms energy: -32.865113 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.658 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -52.531753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.531753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.531753 (E_RNA) where: Base-Base interactions energy: -20.465 where: short stacking energy: -19.119 Base-Backbone interact. energy: -0.001 local terms energy: -32.065498 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -6.407 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -4.966 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: 7, replica: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -47.736950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.736950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.736950 (E_RNA) where: Base-Base interactions energy: -18.776 where: short stacking energy: -18.776 Base-Backbone interact. energy: -0.001 local terms energy: -28.960160 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.149 flat angles P-C4'-P energy: -2.506 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: 8, replica: 5 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -39.766506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.766506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.766506 (E_RNA) where: Base-Base interactions energy: -11.103 where: short stacking energy: -11.103 Base-Backbone interact. energy: -0.038 local terms energy: -28.625202 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -4.339 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: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -44.996850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.996850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.996850 (E_RNA) where: Base-Base interactions energy: -17.043 where: short stacking energy: -12.123 Base-Backbone interact. energy: -0.022 local terms energy: -27.931811 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -6.299 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -2.992 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: 10, replica: 10 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -51.873813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.873813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.873813 (E_RNA) where: Base-Base interactions energy: -23.528 where: short stacking energy: -18.422 Base-Backbone interact. energy: -2.872 local terms energy: -25.473829 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -6.517 flat angles C4'-P-C4' energy: -3.902 flat angles P-C4'-P energy: -5.161 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: 1, replica: 9 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -76.237232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.237232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.237232 (E_RNA) where: Base-Base interactions energy: -38.336 where: short stacking energy: -25.066 Base-Backbone interact. energy: -0.000 local terms energy: -37.901372 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -58.288234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.288234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.288234 (E_RNA) where: Base-Base interactions energy: -23.413 where: short stacking energy: -23.413 Base-Backbone interact. energy: -0.000 local terms energy: -34.874633 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.758 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -6.953 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: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -66.013731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.013731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.013731 (E_RNA) where: Base-Base interactions energy: -32.920 where: short stacking energy: -21.030 Base-Backbone interact. energy: 0.007 local terms energy: -33.100138 where: bonds (distance) C4'-P energy: -6.653 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -6.209 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: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -61.903873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.903873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.903873 (E_RNA) where: Base-Base interactions energy: -29.308 where: short stacking energy: -21.812 Base-Backbone interact. energy: -0.002 local terms energy: -32.594159 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -8.069 flat angles C4'-P-C4' energy: -8.070 flat angles P-C4'-P energy: -2.659 tors. eta vs tors. theta energy: -5.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -61.539987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.539987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.539987 (E_RNA) where: Base-Base interactions energy: -25.045 where: short stacking energy: -25.045 Base-Backbone interact. energy: -0.000 local terms energy: -36.494705 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.303 tors. eta vs tors. theta energy: -7.821 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: 4 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -52.877390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.877390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.877390 (E_RNA) where: Base-Base interactions energy: -22.909 where: short stacking energy: -20.261 Base-Backbone interact. energy: 1.752 local terms energy: -31.720462 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -3.551 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: 7, replica: 5 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -44.250205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.250205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.250205 (E_RNA) where: Base-Base interactions energy: -18.415 where: short stacking energy: -11.036 Base-Backbone interact. energy: -0.238 local terms energy: -25.596358 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -6.378 flat angles P-C4'-P energy: -3.159 tors. eta vs tors. theta energy: -2.563 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: 3 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -45.338102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.338102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.338102 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -14.440 Base-Backbone interact. energy: -0.064 local terms energy: -30.833545 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.171 flat angles P-C4'-P energy: -4.985 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: 9, replica: 10 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -38.067112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.067112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.067112 (E_RNA) where: Base-Base interactions energy: -12.289 where: short stacking energy: -12.289 Base-Backbone interact. energy: -0.099 local terms energy: -25.679484 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -4.245 tors. eta vs tors. theta energy: 1.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -52.153763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.153763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.153763 (E_RNA) where: Base-Base interactions energy: -24.294 where: short stacking energy: -14.204 Base-Backbone interact. energy: 1.129 local terms energy: -28.988752 where: bonds (distance) C4'-P energy: -5.295 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.461 flat angles P-C4'-P energy: -5.760 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: 1, replica: 9 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -77.282679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.282679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.282679 (E_RNA) where: Base-Base interactions energy: -42.301 where: short stacking energy: -28.466 Base-Backbone interact. energy: -0.001 local terms energy: -34.981150 where: bonds (distance) C4'-P energy: -6.741 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -4.212 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -65.877773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.877773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.877773 (E_RNA) where: Base-Base interactions energy: -34.242 where: short stacking energy: -25.733 Base-Backbone interact. energy: -0.044 local terms energy: -31.592568 where: bonds (distance) C4'-P energy: -6.421 bonds (distance) P-C4' energy: -8.288 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -4.333 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: 3, replica: 1 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -53.131887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.131887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.131887 (E_RNA) where: Base-Base interactions energy: -23.050 where: short stacking energy: -17.816 Base-Backbone interact. energy: -0.050 local terms energy: -30.031935 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.529 flat angles P-C4'-P energy: -6.705 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: 4, replica: 7 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -60.540882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.540882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.540882 (E_RNA) where: Base-Base interactions energy: -27.690 where: short stacking energy: -27.690 Base-Backbone interact. energy: -0.000 local terms energy: -32.850615 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -4.762 flat angles C4'-P-C4' energy: -8.249 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -7.704 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: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -56.970143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.970143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.970143 (E_RNA) where: Base-Base interactions energy: -26.263 where: short stacking energy: -18.702 Base-Backbone interact. energy: -0.082 local terms energy: -30.624551 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -5.502 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: 6, replica: 4 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -49.314021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.314021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.314021 (E_RNA) where: Base-Base interactions energy: -21.821 where: short stacking energy: -21.821 Base-Backbone interact. energy: -0.063 local terms energy: -27.429560 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.871 flat angles P-C4'-P energy: -2.297 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: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -40.319143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.319143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.319143 (E_RNA) where: Base-Base interactions energy: -10.690 where: short stacking energy: -10.690 Base-Backbone interact. energy: -0.000 local terms energy: -29.628911 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -7.001 flat angles P-C4'-P energy: -5.562 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: 8, replica: 10 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -44.904336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.904336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.904336 (E_RNA) where: Base-Base interactions energy: -17.324 where: short stacking energy: -17.324 Base-Backbone interact. energy: -0.117 local terms energy: -27.463758 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.328 flat angles P-C4'-P energy: -5.563 tors. eta vs tors. theta energy: -0.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -45.671908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.671908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.671908 (E_RNA) where: Base-Base interactions energy: -13.834 where: short stacking energy: -13.514 Base-Backbone interact. energy: -0.008 local terms energy: -31.830187 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -5.787 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: 10, replica: 2 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -39.369086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.369086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.369086 (E_RNA) where: Base-Base interactions energy: -12.324 where: short stacking energy: -11.927 Base-Backbone interact. energy: -0.079 local terms energy: -26.966213 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.186 flat angles P-C4'-P energy: -4.655 tors. eta vs tors. theta energy: -1.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -64.278048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.278048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.278048 (E_RNA) where: Base-Base interactions energy: -27.748 where: short stacking energy: -27.748 Base-Backbone interact. energy: -0.000 local terms energy: -36.529848 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -9.274 flat angles P-C4'-P energy: -3.663 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: 2, replica: 9 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -65.661225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.661225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.661225 (E_RNA) where: Base-Base interactions energy: -26.787 where: short stacking energy: -26.787 Base-Backbone interact. energy: -0.000 local terms energy: -38.874309 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -4.322 tors. eta vs tors. theta energy: -8.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -55.467149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.467149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.467149 (E_RNA) where: Base-Base interactions energy: -25.290 where: short stacking energy: -25.290 Base-Backbone interact. energy: -0.150 local terms energy: -30.027316 where: bonds (distance) C4'-P energy: -6.577 bonds (distance) P-C4' energy: -6.327 flat angles C4'-P-C4' energy: -8.377 flat angles P-C4'-P energy: -5.330 tors. eta vs tors. theta energy: -3.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -47.100074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.100074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.100074 (E_RNA) where: Base-Base interactions energy: -16.447 where: short stacking energy: -15.688 Base-Backbone interact. energy: -0.788 local terms energy: -29.864299 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -8.256 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -1.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -53.128769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.128769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.128769 (E_RNA) where: Base-Base interactions energy: -19.034 where: short stacking energy: -19.034 Base-Backbone interact. energy: -0.009 local terms energy: -34.085902 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -6.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -59.100832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.100832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.100832 (E_RNA) where: Base-Base interactions energy: -28.539 where: short stacking energy: -28.539 Base-Backbone interact. energy: -0.004 local terms energy: -30.558646 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -6.051 flat angles P-C4'-P energy: -6.322 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: 7, replica: 10 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -53.600976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.600976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.600976 (E_RNA) where: Base-Base interactions energy: -22.239 where: short stacking energy: -21.007 Base-Backbone interact. energy: -0.001 local terms energy: -31.360776 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -40.393371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.393371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.393371 (E_RNA) where: Base-Base interactions energy: -14.436 where: short stacking energy: -14.264 Base-Backbone interact. energy: -0.023 local terms energy: -25.934249 where: bonds (distance) C4'-P energy: -5.459 bonds (distance) P-C4' energy: -6.698 flat angles C4'-P-C4' energy: -7.801 flat angles P-C4'-P energy: -4.234 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: 9, replica: 3 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -42.940051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.940051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.940051 (E_RNA) where: Base-Base interactions energy: -22.380 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.141 local terms energy: -20.419781 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -0.636 flat angles P-C4'-P energy: -1.740 tors. eta vs tors. theta energy: -2.904 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: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -42.012068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.012068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.012068 (E_RNA) where: Base-Base interactions energy: -12.644 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.000 local terms energy: -29.367571 where: bonds (distance) C4'-P energy: -4.971 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -67.553653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.553653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.553653 (E_RNA) where: Base-Base interactions energy: -28.037 where: short stacking energy: -28.037 Base-Backbone interact. energy: -0.532 local terms energy: -38.984474 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.919 flat angles P-C4'-P energy: -5.000 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -56.020986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.020986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.020986 (E_RNA) where: Base-Base interactions energy: -23.467 where: short stacking energy: -23.467 Base-Backbone interact. energy: -0.000 local terms energy: -32.553562 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -5.498 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -54.730411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.730411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.730411 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -18.395 Base-Backbone interact. energy: -0.033 local terms energy: -34.760256 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -1.927 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: 4, replica: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -48.705065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.705065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.705065 (E_RNA) where: Base-Base interactions energy: -19.111 where: short stacking energy: -19.111 Base-Backbone interact. energy: -0.001 local terms energy: -29.593537 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.386 flat angles P-C4'-P energy: -4.488 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: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -51.365253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.365253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.365253 (E_RNA) where: Base-Base interactions energy: -21.267 where: short stacking energy: -20.235 Base-Backbone interact. energy: 0.005 local terms energy: -30.103052 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.203 flat angles C4'-P-C4' energy: -6.792 flat angles P-C4'-P energy: -4.653 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: 6, replica: 10 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -64.509075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.509075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.509075 (E_RNA) where: Base-Base interactions energy: -33.525 where: short stacking energy: -22.735 Base-Backbone interact. energy: -0.000 local terms energy: -30.984191 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -8.460 flat angles P-C4'-P energy: -1.986 tors. eta vs tors. theta energy: -5.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -39.247351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247351 (E_RNA) where: Base-Base interactions energy: -11.357 where: short stacking energy: -9.697 Base-Backbone interact. energy: -0.170 local terms energy: -27.719694 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -5.403 flat angles P-C4'-P energy: -3.988 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: 8, replica: 3 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -44.299717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.299717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.299717 (E_RNA) where: Base-Base interactions energy: -20.714 where: short stacking energy: -20.714 Base-Backbone interact. energy: -0.003 local terms energy: -23.582870 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -6.702 flat angles P-C4'-P energy: -1.603 tors. eta vs tors. theta energy: -2.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -41.871907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.871907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.871907 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -14.604 Base-Backbone interact. energy: 1.798 local terms energy: -29.065417 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.967 flat angles P-C4'-P energy: -1.750 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: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -40.623482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.623482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.623482 (E_RNA) where: Base-Base interactions energy: -15.627 where: short stacking energy: -13.335 Base-Backbone interact. energy: -0.568 local terms energy: -24.427817 where: bonds (distance) C4'-P energy: -6.201 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -3.474 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -2.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -72.398274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.398274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.398274 (E_RNA) where: Base-Base interactions energy: -42.617 where: short stacking energy: -26.276 Base-Backbone interact. energy: 1.496 local terms energy: -31.277146 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -67.249037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.249037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.249037 (E_RNA) where: Base-Base interactions energy: -29.869 where: short stacking energy: -25.190 Base-Backbone interact. energy: -0.000 local terms energy: -37.380329 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -7.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -58.117840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.117840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.117840 (E_RNA) where: Base-Base interactions energy: -24.238 where: short stacking energy: -24.238 Base-Backbone interact. energy: -0.001 local terms energy: -33.878820 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -6.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -57.617718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.617718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.617718 (E_RNA) where: Base-Base interactions energy: -23.199 where: short stacking energy: -23.199 Base-Backbone interact. energy: -0.000 local terms energy: -34.419059 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.805 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -6.334 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: 5, replica: 10 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -56.494801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.494801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.494801 (E_RNA) where: Base-Base interactions energy: -22.337 where: short stacking energy: -21.677 Base-Backbone interact. energy: -0.000 local terms energy: -34.157497 where: bonds (distance) C4'-P energy: -6.239 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -7.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -51.101840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.101840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.101840 (E_RNA) where: Base-Base interactions energy: -21.210 where: short stacking energy: -17.292 Base-Backbone interact. energy: -0.011 local terms energy: -29.881019 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.250 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -48.590131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.590131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.590131 (E_RNA) where: Base-Base interactions energy: -21.613 where: short stacking energy: -21.613 Base-Backbone interact. energy: -0.011 local terms energy: -26.966538 where: bonds (distance) C4'-P energy: -6.471 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.873 flat angles P-C4'-P energy: -2.977 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: 4 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -49.914511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.914511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.914511 (E_RNA) where: Base-Base interactions energy: -23.454 where: short stacking energy: -18.822 Base-Backbone interact. energy: -0.016 local terms energy: -26.445322 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: -0.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -44.089826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.089826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.089826 (E_RNA) where: Base-Base interactions energy: -17.296 where: short stacking energy: -17.296 Base-Backbone interact. energy: 0.114 local terms energy: -26.907753 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -7.836 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -50.227761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.227761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.227761 (E_RNA) where: Base-Base interactions energy: -20.088 where: short stacking energy: -20.088 Base-Backbone interact. energy: -0.001 local terms energy: -30.139043 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -4.063 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -4.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -81.152827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.152827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.152827 (E_RNA) where: Base-Base interactions energy: -45.038 where: short stacking energy: -24.459 Base-Backbone interact. energy: -0.015 local terms energy: -36.099613 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.821 flat angles P-C4'-P energy: -6.789 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: 2, replica: 6 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -65.193662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.193662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.193662 (E_RNA) where: Base-Base interactions energy: -27.772 where: short stacking energy: -27.772 Base-Backbone interact. energy: -0.000 local terms energy: -37.421278 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -8.640 flat angles P-C4'-P energy: -4.014 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: 8 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -57.880511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.880511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.880511 (E_RNA) where: Base-Base interactions energy: -23.834 where: short stacking energy: -23.834 Base-Backbone interact. energy: -0.082 local terms energy: -33.964625 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.305 flat angles P-C4'-P energy: -4.561 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: 4, replica: 10 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -53.848530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.848530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.848530 (E_RNA) where: Base-Base interactions energy: -24.738 where: short stacking energy: -13.889 Base-Backbone interact. energy: -0.054 local terms energy: -29.056917 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.280 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -49.853946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.853946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.853946 (E_RNA) where: Base-Base interactions energy: -19.115 where: short stacking energy: -18.160 Base-Backbone interact. energy: -0.033 local terms energy: -30.706544 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -7.581 flat angles P-C4'-P energy: -4.570 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: 6, replica: 1 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -46.095022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.095022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.095022 (E_RNA) where: Base-Base interactions energy: -14.561 where: short stacking energy: -13.068 Base-Backbone interact. energy: -1.657 local terms energy: -29.876827 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -7.385 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -7.508 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: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -51.759024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.759024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.759024 (E_RNA) where: Base-Base interactions energy: -23.267 where: short stacking energy: -23.267 Base-Backbone interact. energy: -0.013 local terms energy: -28.479519 where: bonds (distance) C4'-P energy: -5.405 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.625 flat angles P-C4'-P energy: -4.854 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: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -57.627419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.627419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.627419 (E_RNA) where: Base-Base interactions energy: -26.361 where: short stacking energy: -14.641 Base-Backbone interact. energy: 0.433 local terms energy: -31.699771 where: bonds (distance) C4'-P energy: -6.590 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.365 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -44.980103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.980103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.980103 (E_RNA) where: Base-Base interactions energy: -17.431 where: short stacking energy: -17.431 Base-Backbone interact. energy: -0.026 local terms energy: -27.523255 where: bonds (distance) C4'-P energy: -4.372 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -7.211 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -3.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -41.680296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.680296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.680296 (E_RNA) where: Base-Base interactions energy: -15.343 where: short stacking energy: -14.502 Base-Backbone interact. energy: -0.013 local terms energy: -26.324399 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -8.103 flat angles C4'-P-C4' energy: -5.476 flat angles P-C4'-P energy: -5.499 tors. eta vs tors. theta energy: -3.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -67.748437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.748437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.748437 (E_RNA) where: Base-Base interactions energy: -30.089 where: short stacking energy: -30.089 Base-Backbone interact. energy: -0.094 local terms energy: -37.565513 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.421 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -65.503519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.503519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.503519 (E_RNA) where: Base-Base interactions energy: -32.588 where: short stacking energy: -22.246 Base-Backbone interact. energy: -0.000 local terms energy: -32.914991 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -3.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -60.821749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.821749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.821749 (E_RNA) where: Base-Base interactions energy: -26.858 where: short stacking energy: -22.746 Base-Backbone interact. energy: -0.037 local terms energy: -33.926027 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -6.380 tors. eta vs tors. theta energy: -4.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -62.342515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.342515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.342515 (E_RNA) where: Base-Base interactions energy: -27.749 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.000 local terms energy: -34.593553 where: bonds (distance) C4'-P energy: -5.703 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -7.516 flat angles P-C4'-P energy: -5.089 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: 5, replica: 9 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -57.074729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.074729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.074729 (E_RNA) where: Base-Base interactions energy: -23.079 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.000 local terms energy: -33.996114 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -5.694 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: 6, replica: 1 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -52.631035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.631035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.631035 (E_RNA) where: Base-Base interactions energy: -21.572 where: short stacking energy: -21.562 Base-Backbone interact. energy: -0.029 local terms energy: -31.030345 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.960 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -6.162 tors. eta vs tors. theta energy: -2.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -59.889402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.889402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.889402 (E_RNA) where: Base-Base interactions energy: -26.851 where: short stacking energy: -24.449 Base-Backbone interact. energy: -0.070 local terms energy: -32.968694 where: bonds (distance) C4'-P energy: -8.407 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -3.618 tors. eta vs tors. theta energy: -4.892 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: 8, replica: 3 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -49.732982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.732982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.732982 (E_RNA) where: Base-Base interactions energy: -22.048 where: short stacking energy: -22.048 Base-Backbone interact. energy: -0.122 local terms energy: -27.563215 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -3.891 flat angles P-C4'-P energy: -4.561 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: 9, replica: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -49.607522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.607522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.607522 (E_RNA) where: Base-Base interactions energy: -20.058 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.011 local terms energy: -29.539137 where: bonds (distance) C4'-P energy: -3.183 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.419 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -38.784317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.784317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.784317 (E_RNA) where: Base-Base interactions energy: -10.662 where: short stacking energy: -10.662 Base-Backbone interact. energy: -0.000 local terms energy: -28.122622 where: bonds (distance) C4'-P energy: -5.333 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -6.538 flat angles P-C4'-P energy: -7.073 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: 1, replica: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -69.573831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.573831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.573831 (E_RNA) where: Base-Base interactions energy: -32.084 where: short stacking energy: -29.233 Base-Backbone interact. energy: -0.000 local terms energy: -37.490179 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.959 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -7.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -68.261061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.261061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.261061 (E_RNA) where: Base-Base interactions energy: -36.939 where: short stacking energy: -27.717 Base-Backbone interact. energy: -0.002 local terms energy: -31.320153 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -5.947 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: 3, replica: 7 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -72.328755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.328755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.328755 (E_RNA) where: Base-Base interactions energy: -41.987 where: short stacking energy: -24.212 Base-Backbone interact. energy: -0.001 local terms energy: -30.340514 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -8.054 flat angles C4'-P-C4' energy: -6.733 flat angles P-C4'-P energy: -4.034 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: 4, replica: 9 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -69.033786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.033786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.033786 (E_RNA) where: Base-Base interactions energy: -33.715 where: short stacking energy: -30.409 Base-Backbone interact. energy: -0.010 local terms energy: -35.308695 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -4.809 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: 5, replica: 8 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -50.900361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.900361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.900361 (E_RNA) where: Base-Base interactions energy: -19.572 where: short stacking energy: -19.572 Base-Backbone interact. energy: -0.001 local terms energy: -31.327989 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -4.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -47.600197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.600197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.600197 (E_RNA) where: Base-Base interactions energy: -17.777 where: short stacking energy: -17.777 Base-Backbone interact. energy: -0.225 local terms energy: -29.598212 where: bonds (distance) C4'-P energy: -5.113 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.480 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: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -52.111412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.111412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.111412 (E_RNA) where: Base-Base interactions energy: -20.406 where: short stacking energy: -20.406 Base-Backbone interact. energy: -0.000 local terms energy: -31.705589 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -4.794 flat angles P-C4'-P energy: -5.314 tors. eta vs tors. theta energy: -6.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -43.827250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.827250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.827250 (E_RNA) where: Base-Base interactions energy: -20.284 where: short stacking energy: -19.824 Base-Backbone interact. energy: -0.026 local terms energy: -23.517680 where: bonds (distance) C4'-P energy: -7.670 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -4.014 flat angles P-C4'-P energy: 1.078 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: 9, replica: 3 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -38.950087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.950087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.950087 (E_RNA) where: Base-Base interactions energy: -11.402 where: short stacking energy: -11.402 Base-Backbone interact. energy: -0.198 local terms energy: -27.350142 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.203 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: 0.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -43.133029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.133029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.133029 (E_RNA) where: Base-Base interactions energy: -14.659 where: short stacking energy: -14.659 Base-Backbone interact. energy: -0.092 local terms energy: -28.381506 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.580 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: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -79.704900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.704900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.704900 (E_RNA) where: Base-Base interactions energy: -43.591 where: short stacking energy: -30.620 Base-Backbone interact. energy: -0.001 local terms energy: -36.113152 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -6.252 flat angles P-C4'-P energy: -4.927 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -62.429383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.429383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.429383 (E_RNA) where: Base-Base interactions energy: -29.205 where: short stacking energy: -22.068 Base-Backbone interact. energy: -0.002 local terms energy: -33.222426 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -78.483954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.483954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.483954 (E_RNA) where: Base-Base interactions energy: -45.039 where: short stacking energy: -26.087 Base-Backbone interact. energy: -0.019 local terms energy: -33.425481 where: bonds (distance) C4'-P energy: -4.454 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.868 flat angles P-C4'-P energy: -4.817 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: 4, replica: 9 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -54.390041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.390041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.390041 (E_RNA) where: Base-Base interactions energy: -23.469 where: short stacking energy: -13.098 Base-Backbone interact. energy: -0.095 local terms energy: -30.826835 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.330 flat angles P-C4'-P energy: -4.916 tors. eta vs tors. theta energy: -0.922 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: 5, replica: 2 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -53.474571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.474571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.474571 (E_RNA) where: Base-Base interactions energy: -20.289 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.447 local terms energy: -32.739478 where: bonds (distance) C4'-P energy: -6.516 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.280 flat angles P-C4'-P energy: -4.766 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -47.161390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.161390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.161390 (E_RNA) where: Base-Base interactions energy: -14.172 where: short stacking energy: -14.172 Base-Backbone interact. energy: -0.012 local terms energy: -32.976916 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -7.586 flat angles P-C4'-P energy: -6.470 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: 7, replica: 4 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -67.226807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.226807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.226807 (E_RNA) where: Base-Base interactions energy: -26.105 where: short stacking energy: -26.105 Base-Backbone interact. energy: -0.000 local terms energy: -41.121858 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.111 flat angles P-C4'-P energy: -6.367 tors. eta vs tors. theta energy: -8.305 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: 220 Temperature: 1.250000 Total energy: -43.649056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.649056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.649056 (E_RNA) where: Base-Base interactions energy: -17.400 where: short stacking energy: -14.952 Base-Backbone interact. energy: -0.002 local terms energy: -26.246821 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -5.511 flat angles P-C4'-P energy: -2.795 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: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -41.300076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.300076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.300076 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.319 local terms energy: -27.316761 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -7.207 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -2.390 tors. eta vs tors. theta energy: -2.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -51.635217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.635217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.635217 (E_RNA) where: Base-Base interactions energy: -22.708 where: short stacking energy: -22.708 Base-Backbone interact. energy: -0.006 local terms energy: -28.921217 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.272 flat angles C4'-P-C4' energy: -6.126 flat angles P-C4'-P energy: -4.129 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: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -72.210109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.210109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.210109 (E_RNA) where: Base-Base interactions energy: -36.801 where: short stacking energy: -25.719 Base-Backbone interact. energy: -0.061 local terms energy: -35.348293 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.233 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -7.128 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: 7 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -68.870775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.870775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.870775 (E_RNA) where: Base-Base interactions energy: -31.437 where: short stacking energy: -26.043 Base-Backbone interact. energy: -0.004 local terms energy: -37.430598 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.002 flat angles C4'-P-C4' energy: -7.204 flat angles P-C4'-P energy: -5.429 tors. eta vs tors. theta energy: -8.602 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: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -71.463009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.463009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.463009 (E_RNA) where: Base-Base interactions energy: -37.111 where: short stacking energy: -21.610 Base-Backbone interact. energy: 0.673 local terms energy: -35.025000 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.253 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -7.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -53.414321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.414321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.414321 (E_RNA) where: Base-Base interactions energy: -24.037 where: short stacking energy: -24.037 Base-Backbone interact. energy: -0.011 local terms energy: -29.366214 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -6.714 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -2.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -63.325591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.325591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.325591 (E_RNA) where: Base-Base interactions energy: -33.716 where: short stacking energy: -25.760 Base-Backbone interact. energy: 0.595 local terms energy: -30.204361 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: 0.549 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -45.473849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.473849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.473849 (E_RNA) where: Base-Base interactions energy: -11.331 where: short stacking energy: -11.331 Base-Backbone interact. energy: -0.109 local terms energy: -34.033456 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -3.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -44.140402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.140402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.140402 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.037 local terms energy: -28.639782 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -5.047 tors. eta vs tors. theta energy: -3.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -48.730599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.730599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.730599 (E_RNA) where: Base-Base interactions energy: -19.084 where: short stacking energy: -19.084 Base-Backbone interact. energy: -0.001 local terms energy: -29.645105 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.186 tors. eta vs tors. theta energy: -3.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -49.007409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.007409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.007409 (E_RNA) where: Base-Base interactions energy: -15.969 where: short stacking energy: -15.969 Base-Backbone interact. energy: -0.006 local terms energy: -33.032691 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.754 flat angles P-C4'-P energy: -3.815 tors. eta vs tors. theta energy: -5.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -60.282367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.282367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.282367 (E_RNA) where: Base-Base interactions energy: -35.092 where: short stacking energy: -12.499 Base-Backbone interact. energy: -0.089 local terms energy: -25.101061 where: bonds (distance) C4'-P energy: -5.621 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -3.604 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -1.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -75.480521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.480521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.480521 (E_RNA) where: Base-Base interactions energy: -37.079 where: short stacking energy: -15.809 Base-Backbone interact. energy: -2.793 local terms energy: -35.608606 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -3.893 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: 7 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -67.873341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.873341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.873341 (E_RNA) where: Base-Base interactions energy: -26.912 where: short stacking energy: -26.912 Base-Backbone interact. energy: -0.000 local terms energy: -40.961323 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -57.500352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.500352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.500352 (E_RNA) where: Base-Base interactions energy: -22.279 where: short stacking energy: -21.191 Base-Backbone interact. energy: -0.099 local terms energy: -35.122920 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -3.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -62.800541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.800541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.800541 (E_RNA) where: Base-Base interactions energy: -33.667 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.023 local terms energy: -29.110338 where: bonds (distance) C4'-P energy: -5.626 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -2.478 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: 222 Temperature: 1.100000 Total energy: -56.402174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.402174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.402174 (E_RNA) where: Base-Base interactions energy: -24.435 where: short stacking energy: -15.112 Base-Backbone interact. energy: -0.062 local terms energy: -31.905622 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.513 flat angles P-C4'-P energy: -2.533 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: 6, replica: 9 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -54.217472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.217472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.217472 (E_RNA) where: Base-Base interactions energy: -19.233 where: short stacking energy: -18.747 Base-Backbone interact. energy: -0.043 local terms energy: -34.941758 where: bonds (distance) C4'-P energy: -8.515 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.720 flat angles P-C4'-P energy: -4.933 tors. eta vs tors. theta energy: -6.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -52.596875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.596875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.596875 (E_RNA) where: Base-Base interactions energy: -25.108 where: short stacking energy: -19.862 Base-Backbone interact. energy: -0.000 local terms energy: -27.488430 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.786 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -3.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -49.773552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.773552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.773552 (E_RNA) where: Base-Base interactions energy: -19.175 where: short stacking energy: -19.175 Base-Backbone interact. energy: -0.136 local terms energy: -30.462216 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.462 flat angles P-C4'-P energy: -2.785 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -43.342621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.342621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.342621 (E_RNA) where: Base-Base interactions energy: -16.160 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.054 local terms energy: -27.128762 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -40.212668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.212668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.212668 (E_RNA) where: Base-Base interactions energy: -14.590 where: short stacking energy: -14.590 Base-Backbone interact. energy: -0.010 local terms energy: -25.612473 where: bonds (distance) C4'-P energy: -4.500 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -2.561 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -70.508858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.508858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.508858 (E_RNA) where: Base-Base interactions energy: -37.174 where: short stacking energy: -21.657 Base-Backbone interact. energy: -0.058 local terms energy: -33.276622 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.846 flat angles P-C4'-P energy: -5.503 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: 2, replica: 2 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -65.446638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.446638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.446638 (E_RNA) where: Base-Base interactions energy: -29.389 where: short stacking energy: -28.405 Base-Backbone interact. energy: -0.001 local terms energy: -36.056688 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -4.785 tors. eta vs tors. theta energy: -7.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -57.921617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.921617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.921617 (E_RNA) where: Base-Base interactions energy: -25.103 where: short stacking energy: -25.103 Base-Backbone interact. energy: -0.060 local terms energy: -32.758780 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.146 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: 8 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -67.005170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.005170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.005170 (E_RNA) where: Base-Base interactions energy: -38.854 where: short stacking energy: -29.238 Base-Backbone interact. energy: -0.000 local terms energy: -28.150773 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.880 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -3.997 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: 5, replica: 6 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -63.112121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.112121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.112121 (E_RNA) where: Base-Base interactions energy: -29.623 where: short stacking energy: -22.845 Base-Backbone interact. energy: -0.000 local terms energy: -33.489102 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.405 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: 6, replica: 1 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -43.317596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.317596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.317596 (E_RNA) where: Base-Base interactions energy: -16.000 where: short stacking energy: -14.922 Base-Backbone interact. energy: -0.005 local terms energy: -27.312429 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -6.814 flat angles C4'-P-C4' energy: -7.065 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -55.715018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.715018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.715018 (E_RNA) where: Base-Base interactions energy: -32.722 where: short stacking energy: -17.159 Base-Backbone interact. energy: -0.244 local terms energy: -22.748334 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -6.826 flat angles C4'-P-C4' energy: -3.876 flat angles P-C4'-P energy: -3.578 tors. eta vs tors. theta energy: -1.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -47.593538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.593538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.593538 (E_RNA) where: Base-Base interactions energy: -20.725 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.059 local terms energy: -26.809139 where: bonds (distance) C4'-P energy: -5.912 bonds (distance) P-C4' energy: -5.125 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.372 tors. eta vs tors. theta energy: -3.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -41.103488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.103488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.103488 (E_RNA) where: Base-Base interactions energy: -13.928 where: short stacking energy: -9.520 Base-Backbone interact. energy: -0.004 local terms energy: -27.171678 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.536 flat angles P-C4'-P energy: -4.539 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: 5 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -38.243368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.243368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.243368 (E_RNA) where: Base-Base interactions energy: -13.067 where: short stacking energy: -13.067 Base-Backbone interact. energy: -0.001 local terms energy: -25.175748 where: bonds (distance) C4'-P energy: -5.763 bonds (distance) P-C4' energy: -7.044 flat angles C4'-P-C4' energy: -6.918 flat angles P-C4'-P energy: -1.289 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: 1, replica: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -79.467959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.467959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.467959 (E_RNA) where: Base-Base interactions energy: -46.014 where: short stacking energy: -18.853 Base-Backbone interact. energy: 0.695 local terms energy: -34.148893 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -5.662 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: 2, replica: 2 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -64.939279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.939279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.939279 (E_RNA) where: Base-Base interactions energy: -28.700 where: short stacking energy: -28.700 Base-Backbone interact. energy: -0.001 local terms energy: -36.238641 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.085 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -8.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -77.256648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.256648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.256648 (E_RNA) where: Base-Base interactions energy: -41.616 where: short stacking energy: -25.227 Base-Backbone interact. energy: -0.143 local terms energy: -35.497317 where: bonds (distance) C4'-P energy: -7.944 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -8.142 flat angles P-C4'-P energy: -5.065 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: 4, replica: 7 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -60.374284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.374284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.374284 (E_RNA) where: Base-Base interactions energy: -24.100 where: short stacking energy: -24.100 Base-Backbone interact. energy: -0.001 local terms energy: -36.272955 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -4.215 tors. eta vs tors. theta energy: -6.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -46.324580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.324580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.324580 (E_RNA) where: Base-Base interactions energy: -17.162 where: short stacking energy: -17.162 Base-Backbone interact. energy: -0.000 local terms energy: -29.162922 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -1.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -51.677906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.677906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.677906 (E_RNA) where: Base-Base interactions energy: -27.628 where: short stacking energy: -12.765 Base-Backbone interact. energy: -0.149 local terms energy: -23.900708 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -5.827 flat angles C4'-P-C4' energy: -2.318 flat angles P-C4'-P energy: -4.613 tors. eta vs tors. theta energy: -4.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -46.898046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.898046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.898046 (E_RNA) where: Base-Base interactions energy: -17.322 where: short stacking energy: -17.322 Base-Backbone interact. energy: -0.012 local terms energy: -29.564378 where: bonds (distance) C4'-P energy: -3.991 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -5.672 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: 8, replica: 4 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -39.163725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.163725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.163725 (E_RNA) where: Base-Base interactions energy: -16.754 where: short stacking energy: -16.289 Base-Backbone interact. energy: -0.256 local terms energy: -22.154176 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -2.335 flat angles C4'-P-C4' energy: -7.940 flat angles P-C4'-P energy: -3.096 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: 5 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -44.028675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.028675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.028675 (E_RNA) where: Base-Base interactions energy: -13.353 where: short stacking energy: -13.353 Base-Backbone interact. energy: -0.000 local terms energy: -30.675136 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -4.939 flat angles P-C4'-P energy: -6.135 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: 10, replica: 3 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -42.297290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.297290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.297290 (E_RNA) where: Base-Base interactions energy: -12.879 where: short stacking energy: -12.879 Base-Backbone interact. energy: -1.083 local terms energy: -28.335737 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.686 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -1.432 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: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -77.390405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.390405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.390405 (E_RNA) where: Base-Base interactions energy: -44.081 where: short stacking energy: -25.067 Base-Backbone interact. energy: -0.002 local terms energy: -33.307750 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -2.182 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: 2, replica: 8 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -62.264365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.264365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.264365 (E_RNA) where: Base-Base interactions energy: -25.454 where: short stacking energy: -22.328 Base-Backbone interact. energy: -0.001 local terms energy: -36.809579 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -3.907 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: 3, replica: 2 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -59.443855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.443855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.443855 (E_RNA) where: Base-Base interactions energy: -23.879 where: short stacking energy: -23.879 Base-Backbone interact. energy: -0.000 local terms energy: -35.564477 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -6.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -58.479313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.479313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.479313 (E_RNA) where: Base-Base interactions energy: -23.687 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.046 local terms energy: -34.746802 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -4.974 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: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -57.035962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.035962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.035962 (E_RNA) where: Base-Base interactions energy: -24.726 where: short stacking energy: -23.162 Base-Backbone interact. energy: -0.379 local terms energy: -31.931075 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -5.382 flat angles C4'-P-C4' energy: -7.308 flat angles P-C4'-P energy: -5.317 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -55.232490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.232490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.232490 (E_RNA) where: Base-Base interactions energy: -26.170 where: short stacking energy: -26.170 Base-Backbone interact. energy: -0.017 local terms energy: -29.045726 where: bonds (distance) C4'-P energy: -5.231 bonds (distance) P-C4' energy: -3.671 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -4.745 tors. eta vs tors. theta energy: -7.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -44.353488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.353488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.353488 (E_RNA) where: Base-Base interactions energy: -14.946 where: short stacking energy: -14.946 Base-Backbone interact. energy: -0.122 local terms energy: -29.286052 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.663 flat angles P-C4'-P energy: -6.537 tors. eta vs tors. theta energy: -1.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -41.469312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.469312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.469312 (E_RNA) where: Base-Base interactions energy: -14.385 where: short stacking energy: -14.385 Base-Backbone interact. energy: -0.000 local terms energy: -27.084748 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.720 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -3.159 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: 225 Temperature: 1.300000 Total energy: -40.147005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.147005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.147005 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.000 local terms energy: -28.205294 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -5.424 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -44.195864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.195864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.195864 (E_RNA) where: Base-Base interactions energy: -14.539 where: short stacking energy: -14.539 Base-Backbone interact. energy: -0.000 local terms energy: -29.656659 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.170 flat angles P-C4'-P energy: -4.531 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: 1, replica: 8 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -70.797845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.797845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.797845 (E_RNA) where: Base-Base interactions energy: -32.176 where: short stacking energy: -28.239 Base-Backbone interact. energy: -0.000 local terms energy: -38.622213 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -6.261 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -58.301168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.301168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.301168 (E_RNA) where: Base-Base interactions energy: -21.591 where: short stacking energy: -21.591 Base-Backbone interact. energy: -0.052 local terms energy: -36.658214 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.740 flat angles P-C4'-P energy: -7.074 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: 3, replica: 1 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -56.611860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.611860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.611860 (E_RNA) where: Base-Base interactions energy: -22.317 where: short stacking energy: -22.317 Base-Backbone interact. energy: -0.000 local terms energy: -34.294496 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.690 flat angles P-C4'-P energy: -4.152 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: 2 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -52.053290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.053290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.053290 (E_RNA) where: Base-Base interactions energy: -23.342 where: short stacking energy: -19.155 Base-Backbone interact. energy: -0.002 local terms energy: -28.709277 where: bonds (distance) C4'-P energy: -7.795 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -3.497 flat angles P-C4'-P energy: -5.609 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: 5, replica: 6 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -59.876280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.876280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.876280 (E_RNA) where: Base-Base interactions energy: -22.192 where: short stacking energy: -22.192 Base-Backbone interact. energy: -0.048 local terms energy: -37.636416 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -7.943 flat angles P-C4'-P energy: -5.285 tors. eta vs tors. theta energy: -7.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -48.145241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.145241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.145241 (E_RNA) where: Base-Base interactions energy: -15.187 where: short stacking energy: -15.187 Base-Backbone interact. energy: -0.001 local terms energy: -32.956761 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -3.425 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: 7, replica: 4 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -46.613716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.613716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.613716 (E_RNA) where: Base-Base interactions energy: -19.635 where: short stacking energy: -19.334 Base-Backbone interact. energy: -0.000 local terms energy: -26.978737 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -3.718 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -5.742 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: 8, replica: 9 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -48.044523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.044523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.044523 (E_RNA) where: Base-Base interactions energy: -20.718 where: short stacking energy: -14.618 Base-Backbone interact. energy: -0.455 local terms energy: -26.871772 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -5.918 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.445 tors. eta vs tors. theta energy: -0.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -39.834089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.834089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.834089 (E_RNA) where: Base-Base interactions energy: -16.256 where: short stacking energy: -16.256 Base-Backbone interact. energy: -0.056 local terms energy: -23.521585 where: bonds (distance) C4'-P energy: -3.601 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -2.756 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: 10, replica: 5 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -45.971303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.971303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.971303 (E_RNA) where: Base-Base interactions energy: -18.152 where: short stacking energy: -16.757 Base-Backbone interact. energy: -0.003 local terms energy: -27.816736 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.004 flat angles P-C4'-P energy: -2.336 tors. eta vs tors. theta energy: -2.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -62.192844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.192844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.192844 (E_RNA) where: Base-Base interactions energy: -28.467 where: short stacking energy: -19.294 Base-Backbone interact. energy: -0.023 local terms energy: -33.702652 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -7.049 tors. eta vs tors. theta energy: -1.874 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: 1 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -55.772476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.772476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.772476 (E_RNA) where: Base-Base interactions energy: -23.676 where: short stacking energy: -23.676 Base-Backbone interact. energy: -0.000 local terms energy: -32.096360 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -8.905 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -5.632 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: 10 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -80.131890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.131890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.131890 (E_RNA) where: Base-Base interactions energy: -42.201 where: short stacking energy: -28.484 Base-Backbone interact. energy: -0.000 local terms energy: -37.931046 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -5.909 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: 4, replica: 6 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -57.489362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.489362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.489362 (E_RNA) where: Base-Base interactions energy: -26.843 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.048 local terms energy: -30.598060 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -3.755 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -58.048779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.048779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.048779 (E_RNA) where: Base-Base interactions energy: -25.848 where: short stacking energy: -25.848 Base-Backbone interact. energy: -0.045 local terms energy: -32.156040 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -2.342 tors. eta vs tors. theta energy: -5.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -44.791839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.791839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.791839 (E_RNA) where: Base-Base interactions energy: -20.514 where: short stacking energy: -20.514 Base-Backbone interact. energy: -0.000 local terms energy: -24.277377 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.238 flat angles C4'-P-C4' energy: -0.391 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -6.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -51.333030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.333030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.333030 (E_RNA) where: Base-Base interactions energy: -25.204 where: short stacking energy: -20.456 Base-Backbone interact. energy: -0.002 local terms energy: -26.126842 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -5.035 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -3.905 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: 3 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -56.419022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.419022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.419022 (E_RNA) where: Base-Base interactions energy: -29.191 where: short stacking energy: -16.747 Base-Backbone interact. energy: -0.015 local terms energy: -27.212935 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -4.746 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -3.278 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: 9, replica: 9 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -55.817574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.817574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.817574 (E_RNA) where: Base-Base interactions energy: -25.497 where: short stacking energy: -23.597 Base-Backbone interact. energy: -0.008 local terms energy: -30.312692 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -4.280 flat angles P-C4'-P energy: -1.582 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: 10, replica: 5 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -39.970228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.970228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.970228 (E_RNA) where: Base-Base interactions energy: -12.684 where: short stacking energy: -6.956 Base-Backbone interact. energy: -0.166 local terms energy: -27.119620 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -3.964 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: 1, replica: 1 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -59.975171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.975171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.975171 (E_RNA) where: Base-Base interactions energy: -30.514 where: short stacking energy: -29.030 Base-Backbone interact. energy: -0.000 local terms energy: -29.461033 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -5.094 flat angles P-C4'-P energy: -4.438 tors. eta vs tors. theta energy: -6.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -59.748549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.748549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.748549 (E_RNA) where: Base-Base interactions energy: -25.025 where: short stacking energy: -25.025 Base-Backbone interact. energy: -0.000 local terms energy: -34.723390 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.033 flat angles P-C4'-P energy: -3.371 tors. eta vs tors. theta energy: -6.870 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: 3, replica: 10 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -72.083741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.083741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.083741 (E_RNA) where: Base-Base interactions energy: -44.045 where: short stacking energy: -16.141 Base-Backbone interact. energy: -0.061 local terms energy: -27.977040 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -5.596 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -0.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -55.120692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.120692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.120692 (E_RNA) where: Base-Base interactions energy: -24.527 where: short stacking energy: -24.527 Base-Backbone interact. energy: -0.023 local terms energy: -30.570342 where: bonds (distance) C4'-P energy: -4.739 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -4.418 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: 5, replica: 4 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -50.179601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.179601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.179601 (E_RNA) where: Base-Base interactions energy: -20.389 where: short stacking energy: -20.389 Base-Backbone interact. energy: -0.046 local terms energy: -29.744879 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -3.545 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: 6, replica: 2 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -63.504492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.504492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.504492 (E_RNA) where: Base-Base interactions energy: -32.327 where: short stacking energy: -21.405 Base-Backbone interact. energy: -0.106 local terms energy: -31.071700 where: bonds (distance) C4'-P energy: -5.204 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -3.861 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: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -50.508208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.508208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.508208 (E_RNA) where: Base-Base interactions energy: -18.880 where: short stacking energy: -18.880 Base-Backbone interact. energy: -0.056 local terms energy: -31.572031 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -6.419 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -6.609 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: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -52.432842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.432842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.432842 (E_RNA) where: Base-Base interactions energy: -20.742 where: short stacking energy: -20.742 Base-Backbone interact. energy: -0.002 local terms energy: -31.689184 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -47.418251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.418251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.418251 (E_RNA) where: Base-Base interactions energy: -19.753 where: short stacking energy: -19.753 Base-Backbone interact. energy: -0.001 local terms energy: -27.664406 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -4.335 flat angles C4'-P-C4' energy: -6.432 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -2.364 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: 10, replica: 9 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -50.242276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.242276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.242276 (E_RNA) where: Base-Base interactions energy: -28.307 where: short stacking energy: -19.033 Base-Backbone interact. energy: -0.002 local terms energy: -21.932538 where: bonds (distance) C4'-P energy: -6.098 bonds (distance) P-C4' energy: -6.109 flat angles C4'-P-C4' energy: -6.730 flat angles P-C4'-P energy: -4.258 tors. eta vs tors. theta energy: 1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -67.018554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.018554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.018554 (E_RNA) where: Base-Base interactions energy: -28.097 where: short stacking energy: -27.430 Base-Backbone interact. energy: -0.000 local terms energy: -38.921428 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -71.781860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.781860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.781860 (E_RNA) where: Base-Base interactions energy: -30.725 where: short stacking energy: -30.725 Base-Backbone interact. energy: -0.000 local terms energy: -41.056432 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -7.339 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: 3, replica: 8 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -69.932780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.932780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.932780 (E_RNA) where: Base-Base interactions energy: -28.163 where: short stacking energy: -28.163 Base-Backbone interact. energy: -0.000 local terms energy: -41.769292 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -6.538 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: 4, replica: 4 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -64.016068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.016068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.016068 (E_RNA) where: Base-Base interactions energy: -27.390 where: short stacking energy: -27.390 Base-Backbone interact. energy: -0.001 local terms energy: -36.624724 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -8.162 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -44.390904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.390904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.390904 (E_RNA) where: Base-Base interactions energy: -16.935 where: short stacking energy: -10.987 Base-Backbone interact. energy: 0.878 local terms energy: -28.333463 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.818 flat angles P-C4'-P energy: -4.863 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: 6, replica: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -51.652619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.652619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.652619 (E_RNA) where: Base-Base interactions energy: -26.562 where: short stacking energy: -26.562 Base-Backbone interact. energy: -0.001 local terms energy: -25.089780 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -4.266 flat angles C4'-P-C4' energy: -5.433 flat angles P-C4'-P energy: -4.229 tors. eta vs tors. theta energy: -3.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -45.006144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.006144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.006144 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -16.182 Base-Backbone interact. energy: -0.056 local terms energy: -28.768658 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.707 flat angles C4'-P-C4' energy: -5.678 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -4.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -55.103362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.103362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.103362 (E_RNA) where: Base-Base interactions energy: -22.087 where: short stacking energy: -22.087 Base-Backbone interact. energy: -0.000 local terms energy: -33.016371 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -6.831 flat angles P-C4'-P energy: -2.725 tors. eta vs tors. theta energy: -7.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -40.769408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.769408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.769408 (E_RNA) where: Base-Base interactions energy: -14.915 where: short stacking energy: -14.584 Base-Backbone interact. energy: -0.007 local terms energy: -25.847676 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.521 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -3.188 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: 10, replica: 9 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -44.773486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.773486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.773486 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -15.235 Base-Backbone interact. energy: -0.004 local terms energy: -29.534348 where: bonds (distance) C4'-P energy: -6.330 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -69.483717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.483717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.483717 (E_RNA) where: Base-Base interactions energy: -29.018 where: short stacking energy: -29.018 Base-Backbone interact. energy: -0.088 local terms energy: -40.377212 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -9.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -58.569494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.569494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.569494 (E_RNA) where: Base-Base interactions energy: -23.685 where: short stacking energy: -23.685 Base-Backbone interact. energy: -0.004 local terms energy: -34.879786 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -7.169 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: 3, replica: 8 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -57.767874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.767874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.767874 (E_RNA) where: Base-Base interactions energy: -25.779 where: short stacking energy: -25.779 Base-Backbone interact. energy: -0.003 local terms energy: -31.985644 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -4.972 tors. eta vs tors. theta energy: -6.015 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: 4 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -54.927170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.927170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.927170 (E_RNA) where: Base-Base interactions energy: -22.963 where: short stacking energy: -22.963 Base-Backbone interact. energy: -0.001 local terms energy: -31.963569 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.794 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -6.928 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: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -49.263160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.263160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.263160 (E_RNA) where: Base-Base interactions energy: -17.700 where: short stacking energy: -17.589 Base-Backbone interact. energy: -0.164 local terms energy: -31.399039 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.097 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: 6, replica: 6 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -56.726857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.726857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.726857 (E_RNA) where: Base-Base interactions energy: -27.936 where: short stacking energy: -21.822 Base-Backbone interact. energy: -0.094 local terms energy: -28.696815 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -4.659 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -5.752 tors. eta vs tors. theta energy: -6.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -47.735700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.735700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.735700 (E_RNA) where: Base-Base interactions energy: -13.255 where: short stacking energy: -13.255 Base-Backbone interact. energy: -0.000 local terms energy: -34.480156 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.762 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -7.760 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: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -54.208582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.208582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.208582 (E_RNA) where: Base-Base interactions energy: -22.783 where: short stacking energy: -22.783 Base-Backbone interact. energy: -0.041 local terms energy: -31.384309 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -3.128 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: 9, replica: 9 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -43.595991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.595991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.595991 (E_RNA) where: Base-Base interactions energy: -16.263 where: short stacking energy: -16.263 Base-Backbone interact. energy: -0.002 local terms energy: -27.331793 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -2.936 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: 10, replica: 5 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -40.187934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.187934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.187934 (E_RNA) where: Base-Base interactions energy: -11.623 where: short stacking energy: -11.233 Base-Backbone interact. energy: 0.091 local terms energy: -28.655875 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -6.914 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -2.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -67.619195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.619195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.619195 (E_RNA) where: Base-Base interactions energy: -28.648 where: short stacking energy: -28.648 Base-Backbone interact. energy: -0.007 local terms energy: -38.964172 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -8.273 flat angles P-C4'-P energy: -6.075 tors. eta vs tors. theta energy: -8.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -68.740209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.740209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.740209 (E_RNA) where: Base-Base interactions energy: -33.024 where: short stacking energy: -17.787 Base-Backbone interact. energy: -0.003 local terms energy: -35.712673 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.410 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -6.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -61.217253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.217253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.217253 (E_RNA) where: Base-Base interactions energy: -27.515 where: short stacking energy: -27.515 Base-Backbone interact. energy: -0.060 local terms energy: -33.642197 where: bonds (distance) C4'-P energy: -6.823 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.674 flat angles P-C4'-P energy: -4.648 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -59.504500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.504500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.504500 (E_RNA) where: Base-Base interactions energy: -26.995 where: short stacking energy: -25.699 Base-Backbone interact. energy: -0.015 local terms energy: -32.494492 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -4.775 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: 5, replica: 4 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -48.882952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.882952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.882952 (E_RNA) where: Base-Base interactions energy: -17.095 where: short stacking energy: -17.095 Base-Backbone interact. energy: -0.024 local terms energy: -31.763565 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -5.265 tors. eta vs tors. theta energy: -1.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -48.797199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.797199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.797199 (E_RNA) where: Base-Base interactions energy: -20.150 where: short stacking energy: -19.770 Base-Backbone interact. energy: -0.092 local terms energy: -28.555052 where: bonds (distance) C4'-P energy: -3.767 bonds (distance) P-C4' energy: -5.904 flat angles C4'-P-C4' energy: -8.496 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -5.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -55.298913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.298913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.298913 (E_RNA) where: Base-Base interactions energy: -22.472 where: short stacking energy: -22.472 Base-Backbone interact. energy: -0.000 local terms energy: -32.826930 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -2.448 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -53.458017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.458017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.458017 (E_RNA) where: Base-Base interactions energy: -24.266 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.000 local terms energy: -29.191829 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -6.182 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -3.886 tors. eta vs tors. theta energy: -8.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -44.352279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.352279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.352279 (E_RNA) where: Base-Base interactions energy: -23.461 where: short stacking energy: -23.461 Base-Backbone interact. energy: -0.008 local terms energy: -20.883082 where: bonds (distance) C4'-P energy: -4.608 bonds (distance) P-C4' energy: -6.139 flat angles C4'-P-C4' energy: -4.068 flat angles P-C4'-P energy: -2.247 tors. eta vs tors. theta energy: -3.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -46.639648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.639648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.639648 (E_RNA) where: Base-Base interactions energy: -17.907 where: short stacking energy: -16.311 Base-Backbone interact. energy: -0.000 local terms energy: -28.732117 where: bonds (distance) C4'-P energy: -5.721 bonds (distance) P-C4' energy: -5.153 flat angles C4'-P-C4' energy: -9.303 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -75.615871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.615871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.615871 (E_RNA) where: Base-Base interactions energy: -36.522 where: short stacking energy: -19.522 Base-Backbone interact. energy: -0.096 local terms energy: -38.997956 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.607 flat angles P-C4'-P energy: -6.718 tors. eta vs tors. theta energy: -5.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -59.839376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.839376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.839376 (E_RNA) where: Base-Base interactions energy: -25.167 where: short stacking energy: -24.874 Base-Backbone interact. energy: -0.004 local terms energy: -34.668850 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.118 flat angles P-C4'-P energy: -5.316 tors. eta vs tors. theta energy: -5.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -59.156038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.156038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.156038 (E_RNA) where: Base-Base interactions energy: -30.133 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.116 local terms energy: -28.907603 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -3.256 flat angles P-C4'-P energy: -6.438 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: 4, replica: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -59.586190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.586190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.586190 (E_RNA) where: Base-Base interactions energy: -24.153 where: short stacking energy: -24.153 Base-Backbone interact. energy: -0.000 local terms energy: -35.433350 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.087 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -8.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -56.786847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.786847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.786847 (E_RNA) where: Base-Base interactions energy: -25.604 where: short stacking energy: -25.604 Base-Backbone interact. energy: -0.079 local terms energy: -31.103796 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -2.882 tors. eta vs tors. theta energy: -6.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -47.973775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.973775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.973775 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -15.952 Base-Backbone interact. energy: -0.032 local terms energy: -31.989802 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.805 flat angles P-C4'-P energy: -5.495 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: 6 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -45.123127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.123127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.123127 (E_RNA) where: Base-Base interactions energy: -17.786 where: short stacking energy: -17.786 Base-Backbone interact. energy: -0.024 local terms energy: -27.312530 where: bonds (distance) C4'-P energy: -5.216 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -3.396 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -3.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -42.312094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.312094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.312094 (E_RNA) where: Base-Base interactions energy: -16.182 where: short stacking energy: -13.157 Base-Backbone interact. energy: -0.102 local terms energy: -26.028093 where: bonds (distance) C4'-P energy: -5.650 bonds (distance) P-C4' energy: -8.357 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -0.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -43.766626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.766626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.766626 (E_RNA) where: Base-Base interactions energy: -18.000 where: short stacking energy: -18.000 Base-Backbone interact. energy: -0.008 local terms energy: -25.758089 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -5.870 flat angles P-C4'-P energy: -3.176 tors. eta vs tors. theta energy: -1.237 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: 9 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -46.459995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.459995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.459995 (E_RNA) where: Base-Base interactions energy: -16.813 where: short stacking energy: -16.813 Base-Backbone interact. energy: -0.012 local terms energy: -29.635223 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.724 flat angles P-C4'-P energy: -5.504 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: 8 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -78.931140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.931140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.931140 (E_RNA) where: Base-Base interactions energy: -41.196 where: short stacking energy: -22.495 Base-Backbone interact. energy: -0.013 local terms energy: -37.721360 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.889 flat angles P-C4'-P energy: -6.414 tors. eta vs tors. theta energy: -7.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -59.068578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.068578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.068578 (E_RNA) where: Base-Base interactions energy: -27.252 where: short stacking energy: -27.252 Base-Backbone interact. energy: -0.020 local terms energy: -31.797340 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -4.525 flat angles C4'-P-C4' energy: -7.843 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -5.900 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: 10 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -69.904472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.904472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.904472 (E_RNA) where: Base-Base interactions energy: -33.620 where: short stacking energy: -19.864 Base-Backbone interact. energy: -0.000 local terms energy: -36.284335 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.455 flat angles P-C4'-P energy: -6.502 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: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -67.009901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.009901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.009901 (E_RNA) where: Base-Base interactions energy: -27.948 where: short stacking energy: -27.948 Base-Backbone interact. energy: -0.000 local terms energy: -39.061483 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -9.502 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -8.909 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: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -51.874926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.874926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.874926 (E_RNA) where: Base-Base interactions energy: -22.136 where: short stacking energy: -15.858 Base-Backbone interact. energy: -0.033 local terms energy: -29.705849 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -2.789 tors. eta vs tors. theta energy: -3.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -43.044595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.044595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.044595 (E_RNA) where: Base-Base interactions energy: -16.821 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.117 local terms energy: -26.106512 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.672 flat angles C4'-P-C4' energy: -7.640 flat angles P-C4'-P energy: -0.418 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: 7, replica: 7 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -52.354972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.354972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.354972 (E_RNA) where: Base-Base interactions energy: -19.367 where: short stacking energy: -19.367 Base-Backbone interact. energy: -0.000 local terms energy: -32.987917 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.711 flat angles C4'-P-C4' energy: -6.587 flat angles P-C4'-P energy: -6.876 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: 8, replica: 5 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -49.493008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.493008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.493008 (E_RNA) where: Base-Base interactions energy: -22.603 where: short stacking energy: -7.907 Base-Backbone interact. energy: 0.786 local terms energy: -27.675907 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.158 flat angles P-C4'-P energy: -5.545 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: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -48.652889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.652889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.652889 (E_RNA) where: Base-Base interactions energy: -18.868 where: short stacking energy: -18.868 Base-Backbone interact. energy: -0.000 local terms energy: -29.785140 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.908 flat angles P-C4'-P energy: -3.118 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: 10, replica: 9 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -53.714279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.714279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.714279 (E_RNA) where: Base-Base interactions energy: -18.416 where: short stacking energy: -8.471 Base-Backbone interact. energy: -0.183 local terms energy: -35.115001 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -5.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -65.789246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.789246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.789246 (E_RNA) where: Base-Base interactions energy: -31.717 where: short stacking energy: -31.717 Base-Backbone interact. energy: -0.003 local terms energy: -34.069632 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -7.627 tors. eta vs tors. theta energy: -7.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -73.131788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.131788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.131788 (E_RNA) where: Base-Base interactions energy: -42.608 where: short stacking energy: -18.764 Base-Backbone interact. energy: -0.814 local terms energy: -29.709420 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -5.080 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: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -64.411861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.411861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.411861 (E_RNA) where: Base-Base interactions energy: -29.808 where: short stacking energy: -26.616 Base-Backbone interact. energy: -0.000 local terms energy: -34.603424 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.244 flat angles P-C4'-P energy: -5.901 tors. eta vs tors. theta energy: -6.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -53.509031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.509031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.509031 (E_RNA) where: Base-Base interactions energy: -23.101 where: short stacking energy: -23.101 Base-Backbone interact. energy: -0.002 local terms energy: -30.405629 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -5.758 flat angles C4'-P-C4' energy: -6.646 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -50.926232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.926232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.926232 (E_RNA) where: Base-Base interactions energy: -17.871 where: short stacking energy: -17.871 Base-Backbone interact. energy: -0.099 local terms energy: -32.956538 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -6.017 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: 6, replica: 1 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -50.526166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.526166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.526166 (E_RNA) where: Base-Base interactions energy: -28.007 where: short stacking energy: -14.450 Base-Backbone interact. energy: -0.104 local terms energy: -22.414573 where: bonds (distance) C4'-P energy: -2.880 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -4.423 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -2.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -52.434330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.434330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.434330 (E_RNA) where: Base-Base interactions energy: -22.471 where: short stacking energy: -22.471 Base-Backbone interact. energy: -0.011 local terms energy: -29.951783 where: bonds (distance) C4'-P energy: -1.262 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -6.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -50.107941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.107941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.107941 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.005 local terms energy: -26.998644 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -3.086 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -3.290 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -38.352569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.352569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.352569 (E_RNA) where: Base-Base interactions energy: -14.377 where: short stacking energy: -14.377 Base-Backbone interact. energy: -0.787 local terms energy: -23.188627 where: bonds (distance) C4'-P energy: -2.826 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: 0.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -41.124144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.124144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.124144 (E_RNA) where: Base-Base interactions energy: -11.780 where: short stacking energy: -11.780 Base-Backbone interact. energy: -0.001 local terms energy: -29.342862 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -5.533 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: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -62.694136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.694136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.694136 (E_RNA) where: Base-Base interactions energy: -26.342 where: short stacking energy: -26.342 Base-Backbone interact. energy: -0.040 local terms energy: -36.311576 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -8.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -66.229842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.229842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.229842 (E_RNA) where: Base-Base interactions energy: -28.292 where: short stacking energy: -28.292 Base-Backbone interact. energy: -0.000 local terms energy: -37.937476 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.616 flat angles P-C4'-P energy: -6.178 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: 3, replica: 8 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -71.350113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.350113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.350113 (E_RNA) where: Base-Base interactions energy: -38.469 where: short stacking energy: -28.294 Base-Backbone interact. energy: -0.000 local terms energy: -32.880982 where: bonds (distance) C4'-P energy: -5.853 bonds (distance) P-C4' energy: -7.470 flat angles C4'-P-C4' energy: -9.100 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -7.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -52.638544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.638544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.638544 (E_RNA) where: Base-Base interactions energy: -22.542 where: short stacking energy: -12.534 Base-Backbone interact. energy: -0.002 local terms energy: -30.095123 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -7.069 flat angles P-C4'-P energy: -5.879 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: 5, replica: 10 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -50.745591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.745591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.745591 (E_RNA) where: Base-Base interactions energy: -18.700 where: short stacking energy: -18.696 Base-Backbone interact. energy: -0.115 local terms energy: -31.931367 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -5.756 tors. eta vs tors. theta energy: -2.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -54.514230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.514230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.514230 (E_RNA) where: Base-Base interactions energy: -18.741 where: short stacking energy: -18.741 Base-Backbone interact. energy: -0.113 local terms energy: -35.660237 where: bonds (distance) C4'-P energy: -5.841 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -46.235055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.235055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.235055 (E_RNA) where: Base-Base interactions energy: -18.915 where: short stacking energy: -11.216 Base-Backbone interact. energy: 0.071 local terms energy: -27.390568 where: bonds (distance) C4'-P energy: -6.226 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.192 flat angles P-C4'-P energy: -5.637 tors. eta vs tors. theta energy: -0.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -49.283123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.283123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.283123 (E_RNA) where: Base-Base interactions energy: -19.049 where: short stacking energy: -9.439 Base-Backbone interact. energy: -0.260 local terms energy: -29.974439 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.397 flat angles P-C4'-P energy: -5.555 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: 235 Temperature: 1.300000 Total energy: -43.716490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.716490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.716490 (E_RNA) where: Base-Base interactions energy: -15.196 where: short stacking energy: -13.471 Base-Backbone interact. energy: -0.007 local terms energy: -28.513324 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.397 flat angles P-C4'-P energy: -6.808 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: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -42.200175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.200175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.200175 (E_RNA) where: Base-Base interactions energy: -18.763 where: short stacking energy: -15.140 Base-Backbone interact. energy: -0.106 local terms energy: -23.331413 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -1.305 tors. eta vs tors. theta energy: -0.163 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: 4 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -58.349060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.349060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.349060 (E_RNA) where: Base-Base interactions energy: -29.308 where: short stacking energy: -22.314 Base-Backbone interact. energy: -0.029 local terms energy: -29.012018 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -7.466 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -2.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -59.683343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.683343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.683343 (E_RNA) where: Base-Base interactions energy: -28.200 where: short stacking energy: -20.721 Base-Backbone interact. energy: -0.003 local terms energy: -31.480194 where: bonds (distance) C4'-P energy: -5.254 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.072 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -2.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -52.927679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.927679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.927679 (E_RNA) where: Base-Base interactions energy: -21.927 where: short stacking energy: -21.687 Base-Backbone interact. energy: -0.018 local terms energy: -30.982855 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -5.031 flat angles P-C4'-P energy: -6.625 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: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -57.264870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.264870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.264870 (E_RNA) where: Base-Base interactions energy: -25.769 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.067 local terms energy: -31.428335 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -2.839 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: 5, replica: 5 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -50.913486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.913486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.913486 (E_RNA) where: Base-Base interactions energy: -16.354 where: short stacking energy: -15.438 Base-Backbone interact. energy: 0.693 local terms energy: -35.252517 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -9.329 flat angles P-C4'-P energy: -3.863 tors. eta vs tors. theta energy: -5.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -56.564964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.564964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.564964 (E_RNA) where: Base-Base interactions energy: -24.080 where: short stacking energy: -24.080 Base-Backbone interact. energy: -0.001 local terms energy: -32.483604 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -7.054 flat angles P-C4'-P energy: -3.891 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: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -44.057078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.057078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.057078 (E_RNA) where: Base-Base interactions energy: -16.063 where: short stacking energy: -11.284 Base-Backbone interact. energy: 0.145 local terms energy: -28.139354 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -4.868 flat angles P-C4'-P energy: -5.916 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: 8, replica: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -41.750042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.750042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.750042 (E_RNA) where: Base-Base interactions energy: -12.783 where: short stacking energy: -12.783 Base-Backbone interact. energy: -0.007 local terms energy: -28.959750 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.828 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: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -53.862795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.862795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.862795 (E_RNA) where: Base-Base interactions energy: -27.470 where: short stacking energy: -14.127 Base-Backbone interact. energy: -1.121 local terms energy: -25.271569 where: bonds (distance) C4'-P energy: -3.050 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -3.187 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: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -42.724897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.724897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.724897 (E_RNA) where: Base-Base interactions energy: -13.910 where: short stacking energy: -13.910 Base-Backbone interact. energy: -0.003 local terms energy: -28.811350 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -3.958 tors. eta vs tors. theta energy: -2.790 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: 4 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -60.414012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.414012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.414012 (E_RNA) where: Base-Base interactions energy: -23.568 where: short stacking energy: -23.568 Base-Backbone interact. energy: -0.010 local terms energy: -36.835611 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -59.720743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.720743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.720743 (E_RNA) where: Base-Base interactions energy: -29.245 where: short stacking energy: -21.231 Base-Backbone interact. energy: -0.086 local terms energy: -30.389661 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.828 flat angles P-C4'-P energy: -5.755 tors. eta vs tors. theta energy: -0.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -58.699854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.699854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.699854 (E_RNA) where: Base-Base interactions energy: -26.251 where: short stacking energy: -25.706 Base-Backbone interact. energy: -0.000 local terms energy: -32.448790 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -3.021 flat angles P-C4'-P energy: -5.524 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: 4, replica: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -51.081420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.081420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.081420 (E_RNA) where: Base-Base interactions energy: -19.084 where: short stacking energy: -18.966 Base-Backbone interact. energy: -0.139 local terms energy: -31.857736 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -5.402 tors. eta vs tors. theta energy: -4.083 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: 5, replica: 5 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -54.761265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.761265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.761265 (E_RNA) where: Base-Base interactions energy: -22.629 where: short stacking energy: -22.629 Base-Backbone interact. energy: -0.002 local terms energy: -32.129643 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -8.905 flat angles P-C4'-P energy: -4.259 tors. eta vs tors. theta energy: -4.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -50.645202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.645202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.645202 (E_RNA) where: Base-Base interactions energy: -19.308 where: short stacking energy: -19.308 Base-Backbone interact. energy: -0.000 local terms energy: -31.336838 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -42.818000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.818000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.818000 (E_RNA) where: Base-Base interactions energy: -16.006 where: short stacking energy: -16.006 Base-Backbone interact. energy: -0.102 local terms energy: -26.709996 where: bonds (distance) C4'-P energy: -4.189 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.659 flat angles P-C4'-P energy: -4.096 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: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -47.849491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.849491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.849491 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.014 local terms energy: -30.643696 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -4.799 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -40.772666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.772666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.772666 (E_RNA) where: Base-Base interactions energy: -14.724 where: short stacking energy: -14.724 Base-Backbone interact. energy: -0.017 local terms energy: -26.031363 where: bonds (distance) C4'-P energy: -4.960 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.712 flat angles P-C4'-P energy: -1.935 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -42.971273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.971273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.971273 (E_RNA) where: Base-Base interactions energy: -10.440 where: short stacking energy: -10.440 Base-Backbone interact. energy: -0.099 local terms energy: -32.432276 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.414 flat angles P-C4'-P energy: -5.661 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: 1, replica: 3 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -75.516849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.516849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.516849 (E_RNA) where: Base-Base interactions energy: -41.464 where: short stacking energy: -26.621 Base-Backbone interact. energy: -0.021 local terms energy: -34.031284 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.052 flat angles P-C4'-P energy: -3.918 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: 2, replica: 4 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -59.387513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.387513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.387513 (E_RNA) where: Base-Base interactions energy: -23.632 where: short stacking energy: -23.632 Base-Backbone interact. energy: -0.001 local terms energy: -35.754367 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -3.165 tors. eta vs tors. theta energy: -7.220 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: 8 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -55.226952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.226952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.226952 (E_RNA) where: Base-Base interactions energy: -26.069 where: short stacking energy: -26.069 Base-Backbone interact. energy: -0.068 local terms energy: -29.090102 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -5.320 flat angles P-C4'-P energy: -1.800 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: 4, replica: 6 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -51.510732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.510732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.510732 (E_RNA) where: Base-Base interactions energy: -19.049 where: short stacking energy: -19.049 Base-Backbone interact. energy: -0.008 local terms energy: -32.453534 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -4.427 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: 9 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -53.778932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.778932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.778932 (E_RNA) where: Base-Base interactions energy: -21.065 where: short stacking energy: -20.587 Base-Backbone interact. energy: 0.191 local terms energy: -32.905346 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.266 flat angles P-C4'-P energy: -4.666 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: 6, replica: 5 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -44.282218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.282218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.282218 (E_RNA) where: Base-Base interactions energy: -19.691 where: short stacking energy: -14.020 Base-Backbone interact. energy: -0.074 local terms energy: -24.516508 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -2.075 tors. eta vs tors. theta energy: -1.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -49.937357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.937357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.937357 (E_RNA) where: Base-Base interactions energy: -21.782 where: short stacking energy: -18.196 Base-Backbone interact. energy: 1.130 local terms energy: -29.285275 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -4.141 tors. eta vs tors. theta energy: -1.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -45.355672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.355672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.355672 (E_RNA) where: Base-Base interactions energy: -15.087 where: short stacking energy: -15.087 Base-Backbone interact. energy: -0.028 local terms energy: -30.240765 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.943 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -3.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -47.739623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.739623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.739623 (E_RNA) where: Base-Base interactions energy: -18.440 where: short stacking energy: -18.440 Base-Backbone interact. energy: -0.005 local terms energy: -29.295200 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.674 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.099 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: 10, replica: 1 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -47.315906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.315906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.315906 (E_RNA) where: Base-Base interactions energy: -21.061 where: short stacking energy: -21.061 Base-Backbone interact. energy: -0.001 local terms energy: -26.254513 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -4.386 flat angles C4'-P-C4' energy: -5.545 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -3.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -68.951125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.951125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.951125 (E_RNA) where: Base-Base interactions energy: -38.404 where: short stacking energy: -16.098 Base-Backbone interact. energy: -0.090 local terms energy: -30.457165 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.268 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: 2, replica: 4 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -60.096359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.096359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.096359 (E_RNA) where: Base-Base interactions energy: -30.435 where: short stacking energy: -23.078 Base-Backbone interact. energy: -0.031 local terms energy: -29.630255 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -2.572 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: 3, replica: 8 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -58.239562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.239562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.239562 (E_RNA) where: Base-Base interactions energy: -26.569 where: short stacking energy: -26.569 Base-Backbone interact. energy: -0.007 local terms energy: -31.663386 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -6.708 flat angles C4'-P-C4' energy: -9.439 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -3.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -45.173062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.173062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.173062 (E_RNA) where: Base-Base interactions energy: -14.939 where: short stacking energy: -14.939 Base-Backbone interact. energy: -0.034 local terms energy: -30.199094 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.434 flat angles P-C4'-P energy: -3.613 tors. eta vs tors. theta energy: -2.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -55.771266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.771266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.771266 (E_RNA) where: Base-Base interactions energy: -21.807 where: short stacking energy: -21.807 Base-Backbone interact. energy: -0.013 local terms energy: -33.951309 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -7.575 flat angles C4'-P-C4' energy: -8.454 flat angles P-C4'-P energy: -5.341 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: 6, replica: 10 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -55.939602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.939602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.939602 (E_RNA) where: Base-Base interactions energy: -21.109 where: short stacking energy: -21.109 Base-Backbone interact. energy: -0.100 local terms energy: -34.730559 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -7.625 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -46.930435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.930435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.930435 (E_RNA) where: Base-Base interactions energy: -20.815 where: short stacking energy: -11.104 Base-Backbone interact. energy: -0.023 local terms energy: -26.092201 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.569 flat angles P-C4'-P energy: -3.378 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -48.846569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.846569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.846569 (E_RNA) where: Base-Base interactions energy: -21.112 where: short stacking energy: -19.776 Base-Backbone interact. energy: -0.046 local terms energy: -27.688008 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -44.694614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.694614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.694614 (E_RNA) where: Base-Base interactions energy: -14.808 where: short stacking energy: -14.808 Base-Backbone interact. energy: -0.000 local terms energy: -29.886145 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -7.434 flat angles P-C4'-P energy: -5.404 tors. eta vs tors. theta energy: -3.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -37.023311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.023311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.023311 (E_RNA) where: Base-Base interactions energy: -9.232 where: short stacking energy: -6.137 Base-Backbone interact. energy: -0.001 local terms energy: -27.790286 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -7.641 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -2.790 tors. eta vs tors. theta energy: -3.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -62.873489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.873489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.873489 (E_RNA) where: Base-Base interactions energy: -28.024 where: short stacking energy: -28.024 Base-Backbone interact. energy: -0.003 local terms energy: -34.845920 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -65.331807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.331807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.331807 (E_RNA) where: Base-Base interactions energy: -28.410 where: short stacking energy: -28.410 Base-Backbone interact. energy: -0.000 local terms energy: -36.921564 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -4.500 tors. eta vs tors. theta energy: -9.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -56.998751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.998751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.998751 (E_RNA) where: Base-Base interactions energy: -28.820 where: short stacking energy: -19.850 Base-Backbone interact. energy: -0.010 local terms energy: -28.169512 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -5.405 flat angles P-C4'-P energy: -4.433 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -57.061605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.061605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.061605 (E_RNA) where: Base-Base interactions energy: -24.140 where: short stacking energy: -24.140 Base-Backbone interact. energy: -0.000 local terms energy: -32.921749 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -7.008 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: 5, replica: 10 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -62.511504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.511504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.511504 (E_RNA) where: Base-Base interactions energy: -25.125 where: short stacking energy: -25.125 Base-Backbone interact. energy: -0.022 local terms energy: -37.364259 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.770 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: 6, replica: 6 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -48.720914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.720914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.720914 (E_RNA) where: Base-Base interactions energy: -21.106 where: short stacking energy: -20.420 Base-Backbone interact. energy: -0.002 local terms energy: -27.612331 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -6.431 flat angles P-C4'-P energy: -3.699 tors. eta vs tors. theta energy: -3.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -52.899889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.899889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.899889 (E_RNA) where: Base-Base interactions energy: -32.666 where: short stacking energy: -15.868 Base-Backbone interact. energy: -0.147 local terms energy: -20.086244 where: bonds (distance) C4'-P energy: -3.631 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -5.614 tors. eta vs tors. theta energy: 1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -53.577875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.577875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.577875 (E_RNA) where: Base-Base interactions energy: -21.475 where: short stacking energy: -21.475 Base-Backbone interact. energy: -0.017 local terms energy: -32.086228 where: bonds (distance) C4'-P energy: -5.154 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -6.105 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: 1 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -44.345699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.345699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.345699 (E_RNA) where: Base-Base interactions energy: -18.241 where: short stacking energy: -16.541 Base-Backbone interact. energy: -0.170 local terms energy: -25.934660 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -6.131 flat angles C4'-P-C4' energy: -8.163 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -1.150 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: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -43.525008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.525008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.525008 (E_RNA) where: Base-Base interactions energy: -16.219 where: short stacking energy: -16.219 Base-Backbone interact. energy: -0.015 local terms energy: -27.291816 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -4.533 flat angles P-C4'-P energy: -4.633 tors. eta vs tors. theta energy: -4.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -68.774486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.774486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.774486 (E_RNA) where: Base-Base interactions energy: -29.283 where: short stacking energy: -29.283 Base-Backbone interact. energy: 0.367 local terms energy: -39.858437 where: bonds (distance) C4'-P energy: -6.251 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -8.644 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -9.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -69.667744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.667744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.667744 (E_RNA) where: Base-Base interactions energy: -30.956 where: short stacking energy: -30.956 Base-Backbone interact. energy: -0.000 local terms energy: -38.711861 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.544 flat angles C4'-P-C4' energy: -7.043 flat angles P-C4'-P energy: -6.311 tors. eta vs tors. theta energy: -9.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -61.044129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.044129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.044129 (E_RNA) where: Base-Base interactions energy: -25.573 where: short stacking energy: -24.524 Base-Backbone interact. energy: -0.013 local terms energy: -35.458284 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.002 flat angles P-C4'-P energy: -5.730 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: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -67.499846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.499846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.499846 (E_RNA) where: Base-Base interactions energy: -27.828 where: short stacking energy: -23.958 Base-Backbone interact. energy: -0.304 local terms energy: -39.367478 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -7.094 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: 5, replica: 10 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -56.777060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.777060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.777060 (E_RNA) where: Base-Base interactions energy: -27.391 where: short stacking energy: -15.476 Base-Backbone interact. energy: -0.094 local terms energy: -29.291885 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -3.068 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: 6, replica: 7 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -47.434737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.434737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.434737 (E_RNA) where: Base-Base interactions energy: -18.311 where: short stacking energy: -17.903 Base-Backbone interact. energy: -0.021 local terms energy: -29.102638 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -4.709 flat angles P-C4'-P energy: -3.717 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: 7, replica: 6 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -54.312314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.312314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.312314 (E_RNA) where: Base-Base interactions energy: -30.724 where: short stacking energy: -20.226 Base-Backbone interact. energy: 0.514 local terms energy: -24.103230 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -1.906 flat angles P-C4'-P energy: -4.014 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -42.474765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.474765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.474765 (E_RNA) where: Base-Base interactions energy: -20.222 where: short stacking energy: -20.222 Base-Backbone interact. energy: -0.000 local terms energy: -22.252663 where: bonds (distance) C4'-P energy: -5.224 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -3.813 flat angles P-C4'-P energy: -2.192 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -46.937111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.937111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.937111 (E_RNA) where: Base-Base interactions energy: -18.748 where: short stacking energy: -12.828 Base-Backbone interact. energy: -0.012 local terms energy: -28.177430 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.037 flat angles P-C4'-P energy: -6.441 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -39.419671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.419671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.419671 (E_RNA) where: Base-Base interactions energy: -14.361 where: short stacking energy: -13.793 Base-Backbone interact. energy: -0.117 local terms energy: -24.941792 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -3.467 flat angles C4'-P-C4' energy: -4.484 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -2.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -68.592549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.592549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.592549 (E_RNA) where: Base-Base interactions energy: -32.466 where: short stacking energy: -32.466 Base-Backbone interact. energy: -0.001 local terms energy: -36.125609 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -7.694 tors. eta vs tors. theta energy: -7.948 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: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -66.395836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.395836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.395836 (E_RNA) where: Base-Base interactions energy: -31.217 where: short stacking energy: -31.217 Base-Backbone interact. energy: -0.000 local terms energy: -35.178849 where: bonds (distance) C4'-P energy: -3.322 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -7.339 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: 9 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -56.049920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.049920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.049920 (E_RNA) where: Base-Base interactions energy: -22.536 where: short stacking energy: -22.536 Base-Backbone interact. energy: -0.009 local terms energy: -33.504424 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -5.325 tors. eta vs tors. theta energy: -4.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -62.642626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.642626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.642626 (E_RNA) where: Base-Base interactions energy: -28.134 where: short stacking energy: -28.134 Base-Backbone interact. energy: 0.353 local terms energy: -34.861424 where: bonds (distance) C4'-P energy: -3.221 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -6.559 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -48.917853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.917853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.917853 (E_RNA) where: Base-Base interactions energy: -13.607 where: short stacking energy: -13.525 Base-Backbone interact. energy: -0.767 local terms energy: -34.543388 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -51.553389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.553389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.553389 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: 1.209 local terms energy: -35.875913 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -5.961 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: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -48.470662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.470662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.470662 (E_RNA) where: Base-Base interactions energy: -20.907 where: short stacking energy: -20.907 Base-Backbone interact. energy: -0.028 local terms energy: -27.536267 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -5.470 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -50.925059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.925059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.925059 (E_RNA) where: Base-Base interactions energy: -20.625 where: short stacking energy: -20.625 Base-Backbone interact. energy: -0.044 local terms energy: -30.256037 where: bonds (distance) C4'-P energy: -2.934 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -8.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -46.057490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.057490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.057490 (E_RNA) where: Base-Base interactions energy: -22.724 where: short stacking energy: -19.433 Base-Backbone interact. energy: -0.027 local terms energy: -23.306639 where: bonds (distance) C4'-P energy: -4.032 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -2.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -43.131313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.131313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.131313 (E_RNA) where: Base-Base interactions energy: -15.414 where: short stacking energy: -11.276 Base-Backbone interact. energy: 0.795 local terms energy: -28.511791 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -3.773 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -72.151231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.151231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.151231 (E_RNA) where: Base-Base interactions energy: -31.453 where: short stacking energy: -27.850 Base-Backbone interact. energy: -0.001 local terms energy: -40.697277 where: bonds (distance) C4'-P energy: -7.612 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -6.913 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: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -60.263803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.263803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.263803 (E_RNA) where: Base-Base interactions energy: -28.839 where: short stacking energy: -28.839 Base-Backbone interact. energy: -0.031 local terms energy: -31.393188 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -7.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -58.023272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.023272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.023272 (E_RNA) where: Base-Base interactions energy: -22.836 where: short stacking energy: -21.720 Base-Backbone interact. energy: -0.038 local terms energy: -35.149390 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -9.007 flat angles P-C4'-P energy: -6.171 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: 4, replica: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -52.777544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.777544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.777544 (E_RNA) where: Base-Base interactions energy: -16.493 where: short stacking energy: -16.174 Base-Backbone interact. energy: -0.009 local terms energy: -36.274920 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -8.339 flat angles C4'-P-C4' energy: -8.728 flat angles P-C4'-P energy: -6.122 tors. eta vs tors. theta energy: -4.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -55.453145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.453145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.453145 (E_RNA) where: Base-Base interactions energy: -24.022 where: short stacking energy: -24.022 Base-Backbone interact. energy: -0.086 local terms energy: -31.345075 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -6.485 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -6.280 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: 6, replica: 10 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -53.452295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.452295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.452295 (E_RNA) where: Base-Base interactions energy: -22.705 where: short stacking energy: -22.705 Base-Backbone interact. energy: -0.000 local terms energy: -30.747252 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -9.127 flat angles P-C4'-P energy: -2.011 tors. eta vs tors. theta energy: -4.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -52.740830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.740830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.740830 (E_RNA) where: Base-Base interactions energy: -19.523 where: short stacking energy: -14.859 Base-Backbone interact. energy: -0.087 local terms energy: -33.130737 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -4.853 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: 8, replica: 2 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -45.957029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.957029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.957029 (E_RNA) where: Base-Base interactions energy: -18.934 where: short stacking energy: -18.934 Base-Backbone interact. energy: -0.023 local terms energy: -26.999348 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -7.742 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -2.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -39.856105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.856105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.856105 (E_RNA) where: Base-Base interactions energy: -13.800 where: short stacking energy: -13.800 Base-Backbone interact. energy: -0.131 local terms energy: -25.924701 where: bonds (distance) C4'-P energy: -3.034 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.889 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -1.338 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: 1 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -42.334018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.334018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.334018 (E_RNA) where: Base-Base interactions energy: -14.475 where: short stacking energy: -14.475 Base-Backbone interact. energy: -0.004 local terms energy: -27.854461 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -4.711 flat angles P-C4'-P energy: -7.316 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: 1, replica: 3 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -64.068303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.068303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.068303 (E_RNA) where: Base-Base interactions energy: -25.628 where: short stacking energy: -25.628 Base-Backbone interact. energy: -0.005 local terms energy: -38.434583 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.132 flat angles P-C4'-P energy: -6.339 tors. eta vs tors. theta energy: -6.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -56.651791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.651791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.651791 (E_RNA) where: Base-Base interactions energy: -24.377 where: short stacking energy: -24.377 Base-Backbone interact. energy: -0.000 local terms energy: -32.274225 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.466 flat angles P-C4'-P energy: -3.260 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: 3, replica: 7 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -50.973636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.973636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.973636 (E_RNA) where: Base-Base interactions energy: -15.749 where: short stacking energy: -15.749 Base-Backbone interact. energy: -0.011 local terms energy: -35.214200 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -7.764 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: 4, replica: 4 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -52.798818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.798818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.798818 (E_RNA) where: Base-Base interactions energy: -20.278 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.094 local terms energy: -32.427115 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.765 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: 10 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -59.936386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.936386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.936386 (E_RNA) where: Base-Base interactions energy: -28.030 where: short stacking energy: -28.030 Base-Backbone interact. energy: -0.054 local terms energy: -31.852582 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -6.864 flat angles P-C4'-P energy: -5.969 tors. eta vs tors. theta energy: -5.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -52.955632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.955632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.955632 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.039 local terms energy: -35.526961 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -6.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -51.206858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.206858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.206858 (E_RNA) where: Base-Base interactions energy: -18.339 where: short stacking energy: -18.339 Base-Backbone interact. energy: -0.013 local terms energy: -32.855233 where: bonds (distance) C4'-P energy: -7.198 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.375 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -45.565859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.565859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.565859 (E_RNA) where: Base-Base interactions energy: -16.240 where: short stacking energy: -16.240 Base-Backbone interact. energy: -0.179 local terms energy: -29.147100 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -8.777 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -5.268 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: 1 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -51.943038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.943038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.943038 (E_RNA) where: Base-Base interactions energy: -22.433 where: short stacking energy: -22.433 Base-Backbone interact. energy: -0.003 local terms energy: -29.506754 where: bonds (distance) C4'-P energy: -4.566 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.160 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -6.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -47.787952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.787952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.787952 (E_RNA) where: Base-Base interactions energy: -14.562 where: short stacking energy: -14.562 Base-Backbone interact. energy: -0.002 local terms energy: -33.224070 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.144 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: 1, replica: 3 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -71.921940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.921940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.921940 (E_RNA) where: Base-Base interactions energy: -32.541 where: short stacking energy: -32.541 Base-Backbone interact. energy: -0.000 local terms energy: -39.380847 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.789 flat angles P-C4'-P energy: -4.168 tors. eta vs tors. theta energy: -9.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -64.347362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.347362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.347362 (E_RNA) where: Base-Base interactions energy: -27.335 where: short stacking energy: -27.335 Base-Backbone interact. energy: -0.000 local terms energy: -37.012513 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -10.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -62.638051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.638051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.638051 (E_RNA) where: Base-Base interactions energy: -26.471 where: short stacking energy: -26.471 Base-Backbone interact. energy: -0.005 local terms energy: -36.161564 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -4.997 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: 4, replica: 10 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -55.623254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.623254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.623254 (E_RNA) where: Base-Base interactions energy: -22.266 where: short stacking energy: -22.266 Base-Backbone interact. energy: -0.000 local terms energy: -33.357126 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -5.388 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: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -56.002076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.002076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.002076 (E_RNA) where: Base-Base interactions energy: -23.766 where: short stacking energy: -23.766 Base-Backbone interact. energy: -0.001 local terms energy: -32.235342 where: bonds (distance) C4'-P energy: -7.144 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.483 flat angles P-C4'-P energy: -2.611 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: 2 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -45.275192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.275192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.275192 (E_RNA) where: Base-Base interactions energy: -11.831 where: short stacking energy: -11.831 Base-Backbone interact. energy: -0.096 local terms energy: -33.348113 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -7.870 flat angles P-C4'-P energy: -5.620 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: 7, replica: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -51.801398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.801398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.801398 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.067 local terms energy: -34.026026 where: bonds (distance) C4'-P energy: -7.646 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -42.556072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.556072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.556072 (E_RNA) where: Base-Base interactions energy: -15.856 where: short stacking energy: -11.549 Base-Backbone interact. energy: 2.444 local terms energy: -29.144433 where: bonds (distance) C4'-P energy: -6.809 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -6.084 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: 5 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -43.945595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.945595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.945595 (E_RNA) where: Base-Base interactions energy: -21.330 where: short stacking energy: -20.619 Base-Backbone interact. energy: -0.001 local terms energy: -22.614621 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -0.367 flat angles P-C4'-P energy: -3.872 tors. eta vs tors. theta energy: -2.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -40.278213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.278213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.278213 (E_RNA) where: Base-Base interactions energy: -10.929 where: short stacking energy: -10.929 Base-Backbone interact. energy: -0.105 local terms energy: -29.243299 where: bonds (distance) C4'-P energy: -5.128 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -5.444 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -64.060533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.060533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.060533 (E_RNA) where: Base-Base interactions energy: -26.095 where: short stacking energy: -25.225 Base-Backbone interact. energy: -0.000 local terms energy: -37.965409 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -8.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -60.172987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.172987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.172987 (E_RNA) where: Base-Base interactions energy: -26.384 where: short stacking energy: -19.292 Base-Backbone interact. energy: -0.019 local terms energy: -33.770226 where: bonds (distance) C4'-P energy: -7.248 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -6.383 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: 3, replica: 10 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -61.819478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.819478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.819478 (E_RNA) where: Base-Base interactions energy: -25.605 where: short stacking energy: -25.605 Base-Backbone interact. energy: -0.000 local terms energy: -36.214768 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -2.706 tors. eta vs tors. theta energy: -9.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -62.413843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.413843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.413843 (E_RNA) where: Base-Base interactions energy: -29.194 where: short stacking energy: -23.959 Base-Backbone interact. energy: -0.000 local terms energy: -33.219971 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -4.464 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: 5, replica: 2 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -52.736477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.736477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.736477 (E_RNA) where: Base-Base interactions energy: -19.434 where: short stacking energy: -19.434 Base-Backbone interact. energy: -0.083 local terms energy: -33.219437 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -6.563 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: -5.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -50.818692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.818692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.818692 (E_RNA) where: Base-Base interactions energy: -19.797 where: short stacking energy: -19.797 Base-Backbone interact. energy: 0.488 local terms energy: -31.509246 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -9.273 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -49.481035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.481035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.481035 (E_RNA) where: Base-Base interactions energy: -17.433 where: short stacking energy: -12.596 Base-Backbone interact. energy: -0.004 local terms energy: -32.044944 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -8.302 flat angles C4'-P-C4' energy: -8.259 flat angles P-C4'-P energy: -5.658 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: 8, replica: 8 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -45.475229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.475229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.475229 (E_RNA) where: Base-Base interactions energy: -16.777 where: short stacking energy: -16.777 Base-Backbone interact. energy: -0.095 local terms energy: -28.603444 where: bonds (distance) C4'-P energy: -6.512 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -4.092 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: 9, replica: 6 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -43.220852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.220852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.220852 (E_RNA) where: Base-Base interactions energy: -15.555 where: short stacking energy: -15.555 Base-Backbone interact. energy: -0.007 local terms energy: -27.658339 where: bonds (distance) C4'-P energy: -5.679 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.830 flat angles P-C4'-P energy: -6.355 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -44.814937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.814937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.814937 (E_RNA) where: Base-Base interactions energy: -16.562 where: short stacking energy: -16.562 Base-Backbone interact. energy: -0.008 local terms energy: -28.245004 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.531 flat angles P-C4'-P energy: -2.818 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: 1, replica: 9 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -73.650995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.650995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.650995 (E_RNA) where: Base-Base interactions energy: -39.973 where: short stacking energy: -25.200 Base-Backbone interact. energy: -0.085 local terms energy: -33.592964 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.489 flat angles P-C4'-P energy: -5.799 tors. eta vs tors. theta energy: -5.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -60.631716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.631716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.631716 (E_RNA) where: Base-Base interactions energy: -23.150 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.001 local terms energy: -37.480225 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -6.884 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: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -59.151810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.151810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.151810 (E_RNA) where: Base-Base interactions energy: -26.823 where: short stacking energy: -26.823 Base-Backbone interact. energy: -0.000 local terms energy: -32.328695 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -2.386 tors. eta vs tors. theta energy: -7.583 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: 247 Temperature: 1.050000 Total energy: -54.305831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.305831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.305831 (E_RNA) where: Base-Base interactions energy: -20.702 where: short stacking energy: -20.702 Base-Backbone interact. energy: -0.000 local terms energy: -33.604154 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -7.365 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -4.983 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: 5, replica: 7 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -55.971765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.971765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.971765 (E_RNA) where: Base-Base interactions energy: -26.871 where: short stacking energy: -21.897 Base-Backbone interact. energy: 3.866 local terms energy: -32.966535 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -4.980 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: 6, replica: 1 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -51.730383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.730383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.730383 (E_RNA) where: Base-Base interactions energy: -20.512 where: short stacking energy: -20.512 Base-Backbone interact. energy: -0.005 local terms energy: -31.212861 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -7.502 flat angles P-C4'-P energy: -5.846 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: 7, replica: 4 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -44.261212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.261212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.261212 (E_RNA) where: Base-Base interactions energy: -13.866 where: short stacking energy: -13.866 Base-Backbone interact. energy: -0.116 local terms energy: -30.278723 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -7.789 flat angles P-C4'-P energy: -5.313 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: 8, replica: 6 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -44.489088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.489088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.489088 (E_RNA) where: Base-Base interactions energy: -15.899 where: short stacking energy: -8.154 Base-Backbone interact. energy: -0.211 local terms energy: -28.379117 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -1.983 tors. eta vs tors. theta energy: -1.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -45.813716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.813716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.813716 (E_RNA) where: Base-Base interactions energy: -19.020 where: short stacking energy: -14.662 Base-Backbone interact. energy: -0.003 local terms energy: -26.790491 where: bonds (distance) C4'-P energy: -4.964 bonds (distance) P-C4' energy: -8.026 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -2.636 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: 247 Temperature: 1.350000 Total energy: -44.905731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.905731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.905731 (E_RNA) where: Base-Base interactions energy: -14.205 where: short stacking energy: -14.205 Base-Backbone interact. energy: 0.260 local terms energy: -30.960923 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.388 flat angles P-C4'-P energy: -4.451 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: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -63.687982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.687982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.687982 (E_RNA) where: Base-Base interactions energy: -27.150 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.005 local terms energy: -36.533743 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -4.972 flat angles P-C4'-P energy: -7.461 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: 2, replica: 10 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -55.144848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.144848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.144848 (E_RNA) where: Base-Base interactions energy: -21.832 where: short stacking energy: -21.832 Base-Backbone interact. energy: -0.086 local terms energy: -33.227220 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -9.034 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -3.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -64.014921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.014921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.014921 (E_RNA) where: Base-Base interactions energy: -27.841 where: short stacking energy: -27.841 Base-Backbone interact. energy: -0.000 local terms energy: -36.174174 where: bonds (distance) C4'-P energy: -5.402 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.958 flat angles P-C4'-P energy: -5.607 tors. eta vs tors. theta energy: -9.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -51.400375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.400375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.400375 (E_RNA) where: Base-Base interactions energy: -16.988 where: short stacking energy: -16.854 Base-Backbone interact. energy: -0.703 local terms energy: -33.709620 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.721 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -4.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -49.594537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.594537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.594537 (E_RNA) where: Base-Base interactions energy: -22.146 where: short stacking energy: -22.146 Base-Backbone interact. energy: -0.039 local terms energy: -27.410063 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.151 flat angles P-C4'-P energy: -2.142 tors. eta vs tors. theta energy: -4.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -46.895782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.895782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.895782 (E_RNA) where: Base-Base interactions energy: -17.635 where: short stacking energy: -17.296 Base-Backbone interact. energy: -0.005 local terms energy: -29.255503 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -5.888 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: -3.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -47.008144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.008144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.008144 (E_RNA) where: Base-Base interactions energy: -16.474 where: short stacking energy: -16.201 Base-Backbone interact. energy: -0.001 local terms energy: -30.533134 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.490 flat angles P-C4'-P energy: -5.678 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: 8, replica: 6 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -43.610015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.610015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.610015 (E_RNA) where: Base-Base interactions energy: -15.221 where: short stacking energy: -15.221 Base-Backbone interact. energy: -0.136 local terms energy: -28.253556 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.792 flat angles C4'-P-C4' energy: -5.435 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -0.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -38.725789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.725789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.725789 (E_RNA) where: Base-Base interactions energy: -11.360 where: short stacking energy: -11.360 Base-Backbone interact. energy: -0.081 local terms energy: -27.284465 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -5.151 tors. eta vs tors. theta energy: -1.166 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: 8 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -44.350591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.350591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.350591 (E_RNA) where: Base-Base interactions energy: -15.511 where: short stacking energy: -14.839 Base-Backbone interact. energy: -0.279 local terms energy: -28.560511 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.817 flat angles P-C4'-P energy: -6.002 tors. eta vs tors. theta energy: -0.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -65.830763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.830763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.830763 (E_RNA) where: Base-Base interactions energy: -27.061 where: short stacking energy: -27.061 Base-Backbone interact. energy: -0.002 local terms energy: -38.767580 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.587 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -8.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -55.882917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.882917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.882917 (E_RNA) where: Base-Base interactions energy: -26.799 where: short stacking energy: -16.651 Base-Backbone interact. energy: -0.282 local terms energy: -28.801889 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -2.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -69.170381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.170381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.170381 (E_RNA) where: Base-Base interactions energy: -30.005 where: short stacking energy: -30.005 Base-Backbone interact. energy: -0.000 local terms energy: -39.164847 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -6.473 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: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -56.673966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.673966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.673966 (E_RNA) where: Base-Base interactions energy: -25.687 where: short stacking energy: -19.609 Base-Backbone interact. energy: -0.001 local terms energy: -30.986287 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.390 flat angles P-C4'-P energy: -1.092 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: 5, replica: 2 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -54.296079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.296079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.296079 (E_RNA) where: Base-Base interactions energy: -28.512 where: short stacking energy: -20.163 Base-Backbone interact. energy: -0.053 local terms energy: -25.731352 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -6.439 flat angles P-C4'-P energy: -4.152 tors. eta vs tors. theta energy: -1.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -46.789717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.789717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.789717 (E_RNA) where: Base-Base interactions energy: -15.473 where: short stacking energy: -15.473 Base-Backbone interact. energy: -0.009 local terms energy: -31.308053 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: -1.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -46.142979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.142979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.142979 (E_RNA) where: Base-Base interactions energy: -16.606 where: short stacking energy: -16.606 Base-Backbone interact. energy: -0.136 local terms energy: -29.400218 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -4.348 tors. eta vs tors. theta energy: -4.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -42.184114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.184114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.184114 (E_RNA) where: Base-Base interactions energy: -16.676 where: short stacking energy: -16.676 Base-Backbone interact. energy: -0.047 local terms energy: -25.460334 where: bonds (distance) C4'-P energy: -2.877 bonds (distance) P-C4' energy: -5.619 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -3.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -42.457285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.457285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.457285 (E_RNA) where: Base-Base interactions energy: -10.584 where: short stacking energy: -10.584 Base-Backbone interact. energy: -0.004 local terms energy: -31.869370 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -6.253 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: 10, replica: 8 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -41.712881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.712881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.712881 (E_RNA) where: Base-Base interactions energy: -15.467 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.000 local terms energy: -26.245123 where: bonds (distance) C4'-P energy: -7.969 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -3.103 flat angles P-C4'-P energy: -5.161 tors. eta vs tors. theta energy: -1.801 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: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -69.677565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.677565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.677565 (E_RNA) where: Base-Base interactions energy: -30.973 where: short stacking energy: -25.319 Base-Backbone interact. energy: -0.006 local terms energy: -38.698445 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.240 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -7.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -71.891260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.891260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.891260 (E_RNA) where: Base-Base interactions energy: -38.927 where: short stacking energy: -25.604 Base-Backbone interact. energy: -0.048 local terms energy: -32.916441 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -7.634 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -3.853 tors. eta vs tors. theta energy: -4.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -62.333544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.333544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.333544 (E_RNA) where: Base-Base interactions energy: -35.486 where: short stacking energy: -10.829 Base-Backbone interact. energy: -0.622 local terms energy: -26.226398 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -4.314 tors. eta vs tors. theta energy: 2.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -49.373662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.373662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.373662 (E_RNA) where: Base-Base interactions energy: -16.603 where: short stacking energy: -16.603 Base-Backbone interact. energy: -0.000 local terms energy: -32.770940 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -7.271 flat angles P-C4'-P energy: -4.105 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: 5, replica: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -53.473532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.473532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.473532 (E_RNA) where: Base-Base interactions energy: -22.598 where: short stacking energy: -21.913 Base-Backbone interact. energy: -0.049 local terms energy: -30.826434 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -6.283 tors. eta vs tors. theta energy: -1.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -49.693437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.693437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.693437 (E_RNA) where: Base-Base interactions energy: -23.726 where: short stacking energy: -23.726 Base-Backbone interact. energy: -0.073 local terms energy: -25.894171 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -2.203 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -4.962 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: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -48.939826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.939826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.939826 (E_RNA) where: Base-Base interactions energy: -19.207 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.000 local terms energy: -29.733043 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.413 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.424 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: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -46.537578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.537578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.537578 (E_RNA) where: Base-Base interactions energy: -21.421 where: short stacking energy: -21.047 Base-Backbone interact. energy: -0.801 local terms energy: -24.315087 where: bonds (distance) C4'-P energy: -3.067 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -4.575 flat angles P-C4'-P energy: -3.470 tors. eta vs tors. theta energy: -6.349 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: 6 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -38.386622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.386622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.386622 (E_RNA) where: Base-Base interactions energy: -17.383 where: short stacking energy: -16.737 Base-Backbone interact. energy: 0.779 local terms energy: -21.782345 where: bonds (distance) C4'-P energy: -7.043 bonds (distance) P-C4' energy: -4.785 flat angles C4'-P-C4' energy: -4.537 flat angles P-C4'-P energy: -3.976 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: 8 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -42.380721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.380721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.380721 (E_RNA) where: Base-Base interactions energy: -14.826 where: short stacking energy: -10.752 Base-Backbone interact. energy: -0.007 local terms energy: -27.547201 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.869 flat angles P-C4'-P energy: -3.721 tors. eta vs tors. theta energy: -1.131 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: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -68.610351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.610351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.610351 (E_RNA) where: Base-Base interactions energy: -35.025 where: short stacking energy: -28.556 Base-Backbone interact. energy: -0.052 local terms energy: -33.532731 where: bonds (distance) C4'-P energy: -4.438 bonds (distance) P-C4' energy: -9.035 flat angles C4'-P-C4' energy: -7.995 flat angles P-C4'-P energy: -3.725 tors. eta vs tors. theta energy: -8.340 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: 2, replica: 1 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -75.471124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.471124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.471124 (E_RNA) where: Base-Base interactions energy: -40.525 where: short stacking energy: -16.491 Base-Backbone interact. energy: -0.100 local terms energy: -34.845485 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -5.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -54.338044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.338044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.338044 (E_RNA) where: Base-Base interactions energy: -20.682 where: short stacking energy: -18.928 Base-Backbone interact. energy: -0.096 local terms energy: -33.560004 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.243 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -3.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -52.885756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.885756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.885756 (E_RNA) where: Base-Base interactions energy: -21.706 where: short stacking energy: -20.787 Base-Backbone interact. energy: -0.842 local terms energy: -30.338230 where: bonds (distance) C4'-P energy: -5.431 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.924 flat angles P-C4'-P energy: -2.858 tors. eta vs tors. theta energy: -6.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -53.217830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.217830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.217830 (E_RNA) where: Base-Base interactions energy: -25.599 where: short stacking energy: -19.323 Base-Backbone interact. energy: -0.072 local terms energy: -27.546026 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -0.666 tors. eta vs tors. theta energy: -4.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -49.276283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.276283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.276283 (E_RNA) where: Base-Base interactions energy: -21.149 where: short stacking energy: -21.149 Base-Backbone interact. energy: -0.001 local terms energy: -28.125463 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -3.728 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.032 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -52.815318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.815318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.815318 (E_RNA) where: Base-Base interactions energy: -25.585 where: short stacking energy: -25.183 Base-Backbone interact. energy: -0.002 local terms energy: -27.228578 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -5.480 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -2.328 tors. eta vs tors. theta energy: -3.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -55.110447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.110447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.110447 (E_RNA) where: Base-Base interactions energy: -27.474 where: short stacking energy: -20.771 Base-Backbone interact. energy: -0.005 local terms energy: -27.630845 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -2.356 tors. eta vs tors. theta energy: -1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -46.887265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.887265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.887265 (E_RNA) where: Base-Base interactions energy: -15.358 where: short stacking energy: -15.358 Base-Backbone interact. energy: -0.001 local terms energy: -31.528142 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -7.165 flat angles C4'-P-C4' energy: -7.019 flat angles P-C4'-P energy: -6.437 tors. eta vs tors. theta energy: -2.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -39.982243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.982243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.982243 (E_RNA) where: Base-Base interactions energy: -13.278 where: short stacking energy: -8.938 Base-Backbone interact. energy: -0.245 local terms energy: -26.459732 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.801 flat angles P-C4'-P energy: -3.340 tors. eta vs tors. theta energy: -0.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -69.296486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.296486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.296486 (E_RNA) where: Base-Base interactions energy: -32.255 where: short stacking energy: -24.346 Base-Backbone interact. energy: -0.003 local terms energy: -37.038257 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -5.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -65.661319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.661319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.661319 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -22.703 Base-Backbone interact. energy: -0.004 local terms energy: -35.359339 where: bonds (distance) C4'-P energy: -6.963 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -6.306 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -8.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -58.524483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.524483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.524483 (E_RNA) where: Base-Base interactions energy: -22.909 where: short stacking energy: -22.909 Base-Backbone interact. energy: -0.001 local terms energy: -35.614640 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.130 tors. eta vs tors. theta energy: -7.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -72.695333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.695333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.695333 (E_RNA) where: Base-Base interactions energy: -41.031 where: short stacking energy: -22.309 Base-Backbone interact. energy: -0.117 local terms energy: -31.547135 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -2.746 tors. eta vs tors. theta energy: -5.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -54.784611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.784611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.784611 (E_RNA) where: Base-Base interactions energy: -20.919 where: short stacking energy: -20.919 Base-Backbone interact. energy: -0.005 local terms energy: -33.860532 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -5.665 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: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -49.012983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.012983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.012983 (E_RNA) where: Base-Base interactions energy: -23.220 where: short stacking energy: -17.880 Base-Backbone interact. energy: -0.001 local terms energy: -25.791261 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -4.011 flat angles P-C4'-P energy: -4.712 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: 7, replica: 6 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -54.817643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.817643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.817643 (E_RNA) where: Base-Base interactions energy: -23.061 where: short stacking energy: -16.781 Base-Backbone interact. energy: -0.000 local terms energy: -31.756478 where: bonds (distance) C4'-P energy: -6.396 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -3.785 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -42.986422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.986422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.986422 (E_RNA) where: Base-Base interactions energy: -14.727 where: short stacking energy: -14.727 Base-Backbone interact. energy: -0.001 local terms energy: -28.258279 where: bonds (distance) C4'-P energy: -6.565 bonds (distance) P-C4' energy: -5.920 flat angles C4'-P-C4' energy: -6.489 flat angles P-C4'-P energy: -4.693 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -40.713346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.713346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.713346 (E_RNA) where: Base-Base interactions energy: -13.806 where: short stacking energy: -13.806 Base-Backbone interact. energy: -0.083 local terms energy: -26.824383 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -5.054 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: 252 Temperature: 1.350000 Total energy: -43.096954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.096954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.096954 (E_RNA) where: Base-Base interactions energy: -17.503 where: short stacking energy: -17.503 Base-Backbone interact. energy: -0.156 local terms energy: -25.437689 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.048 flat angles C4'-P-C4' energy: -4.753 flat angles P-C4'-P energy: -3.765 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: 1, replica: 1 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -57.115046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.115046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.115046 (E_RNA) where: Base-Base interactions energy: -26.898 where: short stacking energy: -26.898 Base-Backbone interact. energy: 0.285 local terms energy: -30.502258 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -6.552 tors. eta vs tors. theta energy: -5.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -74.874723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.874723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.874723 (E_RNA) where: Base-Base interactions energy: -44.830 where: short stacking energy: -22.359 Base-Backbone interact. energy: -0.002 local terms energy: -30.042783 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -4.080 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: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -53.667652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.667652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.667652 (E_RNA) where: Base-Base interactions energy: -20.795 where: short stacking energy: -20.795 Base-Backbone interact. energy: -0.004 local terms energy: -32.868132 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -55.134233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.134233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.134233 (E_RNA) where: Base-Base interactions energy: -20.504 where: short stacking energy: -20.504 Base-Backbone interact. energy: -0.015 local terms energy: -34.615625 where: bonds (distance) C4'-P energy: -6.214 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -9.062 flat angles P-C4'-P energy: -4.971 tors. eta vs tors. theta energy: -5.493 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: 4 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -68.217570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.217570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.217570 (E_RNA) where: Base-Base interactions energy: -39.860 where: short stacking energy: -20.183 Base-Backbone interact. energy: -0.253 local terms energy: -28.104645 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -4.214 flat angles P-C4'-P energy: -2.489 tors. eta vs tors. theta energy: -7.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -49.571575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.571575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.571575 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -18.317 Base-Backbone interact. energy: -0.007 local terms energy: -31.247626 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.783 flat angles P-C4'-P energy: -5.659 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: 7, replica: 6 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -44.688106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.688106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.688106 (E_RNA) where: Base-Base interactions energy: -11.810 where: short stacking energy: -11.534 Base-Backbone interact. energy: -1.271 local terms energy: -31.606727 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -5.844 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -42.465862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.465862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.465862 (E_RNA) where: Base-Base interactions energy: -17.370 where: short stacking energy: -11.147 Base-Backbone interact. energy: -0.087 local terms energy: -25.008274 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -6.161 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -0.525 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: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -40.530982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.530982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.530982 (E_RNA) where: Base-Base interactions energy: -12.425 where: short stacking energy: -12.425 Base-Backbone interact. energy: -0.162 local terms energy: -27.943562 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.467 flat angles C4'-P-C4' energy: -9.112 flat angles P-C4'-P energy: -3.131 tors. eta vs tors. theta energy: -1.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -48.328747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.328747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.328747 (E_RNA) where: Base-Base interactions energy: -17.071 where: short stacking energy: -17.071 Base-Backbone interact. energy: -0.006 local terms energy: -31.251088 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -6.861 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -2.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -80.121708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.121708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.121708 (E_RNA) where: Base-Base interactions energy: -41.744 where: short stacking energy: -25.959 Base-Backbone interact. energy: -0.006 local terms energy: -38.371931 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -8.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -61.978734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.978734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.978734 (E_RNA) where: Base-Base interactions energy: -27.024 where: short stacking energy: -27.024 Base-Backbone interact. energy: -0.000 local terms energy: -34.954236 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -5.662 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: 2 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -54.494712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.494712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.494712 (E_RNA) where: Base-Base interactions energy: -19.632 where: short stacking energy: -19.632 Base-Backbone interact. energy: -0.000 local terms energy: -34.862032 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -5.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -60.498849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.498849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.498849 (E_RNA) where: Base-Base interactions energy: -27.924 where: short stacking energy: -23.314 Base-Backbone interact. energy: -0.000 local terms energy: -32.574620 where: bonds (distance) C4'-P energy: -5.891 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -5.876 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: 5, replica: 10 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -55.561969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.561969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.561969 (E_RNA) where: Base-Base interactions energy: -27.236 where: short stacking energy: -23.047 Base-Backbone interact. energy: 1.164 local terms energy: -29.490092 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: 1.014 tors. eta vs tors. theta energy: -7.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -45.189485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.189485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.189485 (E_RNA) where: Base-Base interactions energy: -22.500 where: short stacking energy: -22.500 Base-Backbone interact. energy: 0.436 local terms energy: -23.125206 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -7.604 flat angles C4'-P-C4' energy: -3.304 flat angles P-C4'-P energy: -1.599 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: 7, replica: 6 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -46.733776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.733776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.733776 (E_RNA) where: Base-Base interactions energy: -16.478 where: short stacking energy: -14.371 Base-Backbone interact. energy: -0.155 local terms energy: -30.100860 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -8.508 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -0.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -40.654991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.654991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.654991 (E_RNA) where: Base-Base interactions energy: -16.749 where: short stacking energy: -9.140 Base-Backbone interact. energy: -0.103 local terms energy: -23.802931 where: bonds (distance) C4'-P energy: -6.305 bonds (distance) P-C4' energy: -6.401 flat angles C4'-P-C4' energy: -5.747 flat angles P-C4'-P energy: -5.121 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: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -50.164990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.164990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.164990 (E_RNA) where: Base-Base interactions energy: -21.340 where: short stacking energy: -21.202 Base-Backbone interact. energy: -0.548 local terms energy: -28.277492 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -4.621 flat angles P-C4'-P energy: -5.703 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: 10, replica: 5 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -40.334871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.334871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.334871 (E_RNA) where: Base-Base interactions energy: -13.418 where: short stacking energy: -13.363 Base-Backbone interact. energy: -0.024 local terms energy: -26.893235 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -3.784 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: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -71.542397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.542397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.542397 (E_RNA) where: Base-Base interactions energy: -36.524 where: short stacking energy: -18.462 Base-Backbone interact. energy: -0.102 local terms energy: -34.916236 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.424 flat angles P-C4'-P energy: -6.479 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: 2, replica: 1 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -64.375046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.375046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.375046 (E_RNA) where: Base-Base interactions energy: -26.565 where: short stacking energy: -26.565 Base-Backbone interact. energy: -0.019 local terms energy: -37.790597 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -8.567 flat angles P-C4'-P energy: -6.991 tors. eta vs tors. theta energy: -7.041 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: 2 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -55.974924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.974924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.974924 (E_RNA) where: Base-Base interactions energy: -23.591 where: short stacking energy: -23.591 Base-Backbone interact. energy: -0.102 local terms energy: -32.282012 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -3.878 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: 4, replica: 10 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -57.676190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.676190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.676190 (E_RNA) where: Base-Base interactions energy: -24.085 where: short stacking energy: -22.797 Base-Backbone interact. energy: -0.001 local terms energy: -33.590013 where: bonds (distance) C4'-P energy: -4.107 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -8.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -61.081077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.081077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.081077 (E_RNA) where: Base-Base interactions energy: -24.012 where: short stacking energy: -24.012 Base-Backbone interact. energy: -0.001 local terms energy: -37.068310 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -6.217 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -47.716131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.716131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.716131 (E_RNA) where: Base-Base interactions energy: -19.010 where: short stacking energy: -18.804 Base-Backbone interact. energy: -0.026 local terms energy: -28.680264 where: bonds (distance) C4'-P energy: -4.594 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -4.863 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: 7, replica: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -41.498590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.498590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.498590 (E_RNA) where: Base-Base interactions energy: -18.472 where: short stacking energy: -18.472 Base-Backbone interact. energy: 0.990 local terms energy: -24.016841 where: bonds (distance) C4'-P energy: -3.974 bonds (distance) P-C4' energy: -6.162 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -0.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -47.351814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.351814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.351814 (E_RNA) where: Base-Base interactions energy: -21.518 where: short stacking energy: -21.518 Base-Backbone interact. energy: -0.098 local terms energy: -25.735734 where: bonds (distance) C4'-P energy: -5.554 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -5.150 tors. eta vs tors. theta energy: -2.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -43.653485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.653485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.653485 (E_RNA) where: Base-Base interactions energy: -14.604 where: short stacking energy: -14.604 Base-Backbone interact. energy: 0.012 local terms energy: -29.061078 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -5.229 flat angles P-C4'-P energy: -4.725 tors. eta vs tors. theta energy: -2.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -39.244584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.244584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.244584 (E_RNA) where: Base-Base interactions energy: -14.451 where: short stacking energy: -14.451 Base-Backbone interact. energy: -0.008 local terms energy: -24.785509 where: bonds (distance) C4'-P energy: -4.861 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -2.850 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -3.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -65.640054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.640054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.640054 (E_RNA) where: Base-Base interactions energy: -28.381 where: short stacking energy: -28.381 Base-Backbone interact. energy: -0.000 local terms energy: -37.259050 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -5.579 tors. eta vs tors. theta energy: -9.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -62.435020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.435020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.435020 (E_RNA) where: Base-Base interactions energy: -24.302 where: short stacking energy: -24.302 Base-Backbone interact. energy: -0.003 local terms energy: -38.129739 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -9.030 flat angles P-C4'-P energy: -6.948 tors. eta vs tors. theta energy: -6.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -58.498342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.498342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.498342 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.000 local terms energy: -34.598577 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -4.980 tors. eta vs tors. theta energy: -7.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -59.732389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.732389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.732389 (E_RNA) where: Base-Base interactions energy: -29.134 where: short stacking energy: -29.134 Base-Backbone interact. energy: -0.005 local terms energy: -30.592837 where: bonds (distance) C4'-P energy: -3.416 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.605 flat angles P-C4'-P energy: -4.273 tors. eta vs tors. theta energy: -7.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -51.616312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.616312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.616312 (E_RNA) where: Base-Base interactions energy: -21.446 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.005 local terms energy: -30.165480 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.544 flat angles C4'-P-C4' energy: -6.322 flat angles P-C4'-P energy: -5.675 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: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -48.543256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.543256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.543256 (E_RNA) where: Base-Base interactions energy: -22.176 where: short stacking energy: -21.426 Base-Backbone interact. energy: -0.002 local terms energy: -26.365569 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -5.314 flat angles C4'-P-C4' energy: -6.042 flat angles P-C4'-P energy: -3.241 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: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -51.544896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.544896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.544896 (E_RNA) where: Base-Base interactions energy: -23.336 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.067 local terms energy: -28.141483 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.498 flat angles C4'-P-C4' energy: -6.109 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -4.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -41.298140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.298140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.298140 (E_RNA) where: Base-Base interactions energy: -7.311 where: short stacking energy: -7.311 Base-Backbone interact. energy: -0.328 local terms energy: -33.659465 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -6.173 tors. eta vs tors. theta energy: -2.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -43.249126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.249126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.249126 (E_RNA) where: Base-Base interactions energy: -10.908 where: short stacking energy: -10.908 Base-Backbone interact. energy: -0.009 local terms energy: -32.331724 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -6.500 flat angles C4'-P-C4' energy: -6.980 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -4.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -48.846784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.846784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.846784 (E_RNA) where: Base-Base interactions energy: -18.168 where: short stacking energy: -10.421 Base-Backbone interact. energy: 0.420 local terms energy: -31.098732 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -6.024 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: 1, replica: 1 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -63.005503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.005503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.005503 (E_RNA) where: Base-Base interactions energy: -27.109 where: short stacking energy: -27.109 Base-Backbone interact. energy: -0.100 local terms energy: -35.796628 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -3.516 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: 2, replica: 10 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -55.855307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.855307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.855307 (E_RNA) where: Base-Base interactions energy: -25.603 where: short stacking energy: -17.233 Base-Backbone interact. energy: 0.015 local terms energy: -30.267793 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -3.824 tors. eta vs tors. theta energy: -1.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -61.709329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.709329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.709329 (E_RNA) where: Base-Base interactions energy: -26.270 where: short stacking energy: -26.270 Base-Backbone interact. energy: -0.001 local terms energy: -35.439172 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.079 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -4.772 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -60.541332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.541332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.541332 (E_RNA) where: Base-Base interactions energy: -26.468 where: short stacking energy: -26.468 Base-Backbone interact. energy: -0.255 local terms energy: -33.818932 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.850 flat angles P-C4'-P energy: -3.799 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -54.017793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.017793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.017793 (E_RNA) where: Base-Base interactions energy: -26.948 where: short stacking energy: -14.294 Base-Backbone interact. energy: -0.097 local terms energy: -26.972652 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.504 flat angles P-C4'-P energy: -4.783 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: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -43.256838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.256838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.256838 (E_RNA) where: Base-Base interactions energy: -13.660 where: short stacking energy: -13.652 Base-Backbone interact. energy: -0.019 local terms energy: -29.577477 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -5.179 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -5.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -47.309971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.309971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.309971 (E_RNA) where: Base-Base interactions energy: -25.921 where: short stacking energy: -9.508 Base-Backbone interact. energy: -1.019 local terms energy: -20.369947 where: bonds (distance) C4'-P energy: -3.373 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -1.309 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: 8, replica: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -53.471273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.471273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.471273 (E_RNA) where: Base-Base interactions energy: -21.484 where: short stacking energy: -16.267 Base-Backbone interact. energy: -0.559 local terms energy: -31.428209 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -8.778 flat angles C4'-P-C4' energy: -7.476 flat angles P-C4'-P energy: -4.271 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: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -47.895027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.895027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.895027 (E_RNA) where: Base-Base interactions energy: -18.970 where: short stacking energy: -18.600 Base-Backbone interact. energy: -0.017 local terms energy: -28.907438 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -1.911 flat angles P-C4'-P energy: -6.333 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: 10, replica: 8 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -43.854776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.854776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.854776 (E_RNA) where: Base-Base interactions energy: -14.487 where: short stacking energy: -9.747 Base-Backbone interact. energy: -0.052 local terms energy: -29.315738 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.709 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -63.666117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.666117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.666117 (E_RNA) where: Base-Base interactions energy: -28.021 where: short stacking energy: -22.038 Base-Backbone interact. energy: -0.004 local terms energy: -35.641168 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -6.950 tors. eta vs tors. theta energy: -4.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -64.521893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.521893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.521893 (E_RNA) where: Base-Base interactions energy: -28.490 where: short stacking energy: -28.490 Base-Backbone interact. energy: -0.000 local terms energy: -36.031691 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -6.032 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -64.016815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.016815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.016815 (E_RNA) where: Base-Base interactions energy: -31.284 where: short stacking energy: -31.284 Base-Backbone interact. energy: -0.001 local terms energy: -32.732541 where: bonds (distance) C4'-P energy: -5.415 bonds (distance) P-C4' energy: -5.498 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -5.767 tors. eta vs tors. theta energy: -9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -47.476713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.476713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.476713 (E_RNA) where: Base-Base interactions energy: -20.498 where: short stacking energy: -16.377 Base-Backbone interact. energy: -0.157 local terms energy: -26.821621 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -4.542 flat angles P-C4'-P energy: -2.317 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -59.658087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.658087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.658087 (E_RNA) where: Base-Base interactions energy: -23.978 where: short stacking energy: -23.978 Base-Backbone interact. energy: -0.000 local terms energy: -35.680285 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.772 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: -6.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -55.523083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.523083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.523083 (E_RNA) where: Base-Base interactions energy: -21.535 where: short stacking energy: -20.871 Base-Backbone interact. energy: -0.027 local terms energy: -33.961135 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -4.193 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: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -44.328363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.328363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.328363 (E_RNA) where: Base-Base interactions energy: -15.674 where: short stacking energy: -15.381 Base-Backbone interact. energy: -0.054 local terms energy: -28.600419 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.209 flat angles C4'-P-C4' energy: -5.958 flat angles P-C4'-P energy: -4.579 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: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -45.267526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.267526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.267526 (E_RNA) where: Base-Base interactions energy: -17.701 where: short stacking energy: -17.701 Base-Backbone interact. energy: -0.044 local terms energy: -27.523070 where: bonds (distance) C4'-P energy: -6.103 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -3.399 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: 9, replica: 8 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -43.602694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.602694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.602694 (E_RNA) where: Base-Base interactions energy: -12.109 where: short stacking energy: -12.109 Base-Backbone interact. energy: -0.057 local terms energy: -31.436862 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -6.983 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -1.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -43.839815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.839815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.839815 (E_RNA) where: Base-Base interactions energy: -19.503 where: short stacking energy: -19.391 Base-Backbone interact. energy: -0.008 local terms energy: -24.328120 where: bonds (distance) C4'-P energy: -2.443 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.006 flat angles P-C4'-P energy: -5.162 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: 1, replica: 10 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -68.324962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.324962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.324962 (E_RNA) where: Base-Base interactions energy: -30.997 where: short stacking energy: -29.747 Base-Backbone interact. energy: -0.000 local terms energy: -37.328388 where: bonds (distance) C4'-P energy: -5.849 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -5.694 tors. eta vs tors. theta energy: -9.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -60.551394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.551394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.551394 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -26.056 Base-Backbone interact. energy: -0.000 local terms energy: -34.494847 where: bonds (distance) C4'-P energy: -6.285 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -5.176 tors. eta vs tors. theta energy: -7.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -62.827447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.827447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.827447 (E_RNA) where: Base-Base interactions energy: -26.967 where: short stacking energy: -26.967 Base-Backbone interact. energy: -0.000 local terms energy: -35.860223 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -5.633 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: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -53.073558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.073558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.073558 (E_RNA) where: Base-Base interactions energy: -22.203 where: short stacking energy: -21.563 Base-Backbone interact. energy: -0.001 local terms energy: -30.869434 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -4.760 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: 5, replica: 9 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -54.421132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.421132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.421132 (E_RNA) where: Base-Base interactions energy: -23.385 where: short stacking energy: -19.619 Base-Backbone interact. energy: -0.100 local terms energy: -30.935667 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -5.802 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -4.790 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: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -51.351494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.351494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.351494 (E_RNA) where: Base-Base interactions energy: -19.564 where: short stacking energy: -19.564 Base-Backbone interact. energy: -0.001 local terms energy: -31.786233 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.030 flat angles P-C4'-P energy: -2.561 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: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -47.469679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.469679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.469679 (E_RNA) where: Base-Base interactions energy: -20.987 where: short stacking energy: -20.987 Base-Backbone interact. energy: -0.009 local terms energy: -26.473264 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.728 flat angles P-C4'-P energy: -1.323 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: 8, replica: 8 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -43.916102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.916102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.916102 (E_RNA) where: Base-Base interactions energy: -19.888 where: short stacking energy: -8.930 Base-Backbone interact. energy: 0.303 local terms energy: -24.330622 where: bonds (distance) C4'-P energy: -5.576 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.330 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -0.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -46.688388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.688388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.688388 (E_RNA) where: Base-Base interactions energy: -20.427 where: short stacking energy: -10.681 Base-Backbone interact. energy: -0.074 local terms energy: -26.187367 where: bonds (distance) C4'-P energy: -4.164 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.249 flat angles P-C4'-P energy: -6.710 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: 10, replica: 7 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -38.294347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.294347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.294347 (E_RNA) where: Base-Base interactions energy: -15.003 where: short stacking energy: -13.003 Base-Backbone interact. energy: -0.261 local terms energy: -23.030319 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -3.755 flat angles P-C4'-P energy: -0.516 tors. eta vs tors. theta energy: -2.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -68.076933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.076933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.076933 (E_RNA) where: Base-Base interactions energy: -31.453 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.000 local terms energy: -36.623689 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -6.178 tors. eta vs tors. theta energy: -8.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -60.178781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.178781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.178781 (E_RNA) where: Base-Base interactions energy: -24.348 where: short stacking energy: -24.348 Base-Backbone interact. energy: -0.000 local terms energy: -35.830584 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.897 flat angles P-C4'-P energy: -4.350 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: 3, replica: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -54.914578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.914578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.914578 (E_RNA) where: Base-Base interactions energy: -22.715 where: short stacking energy: -22.715 Base-Backbone interact. energy: -0.067 local terms energy: -32.132351 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.856 flat angles P-C4'-P energy: -5.971 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: 1 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -55.011832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.011832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.011832 (E_RNA) where: Base-Base interactions energy: -24.872 where: short stacking energy: -16.983 Base-Backbone interact. energy: -0.067 local terms energy: -30.072425 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -3.941 tors. eta vs tors. theta energy: -1.718 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: 5 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -57.064465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.064465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.064465 (E_RNA) where: Base-Base interactions energy: -25.509 where: short stacking energy: -14.309 Base-Backbone interact. energy: -0.028 local terms energy: -31.527930 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.183 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -4.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -49.285358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.285358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.285358 (E_RNA) where: Base-Base interactions energy: -16.538 where: short stacking energy: -17.438 Base-Backbone interact. energy: -0.016 local terms energy: -32.732114 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -9.375 flat angles P-C4'-P energy: -3.438 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: 8 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -50.062893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.062893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.062893 (E_RNA) where: Base-Base interactions energy: -25.063 where: short stacking energy: -14.463 Base-Backbone interact. energy: -0.102 local terms energy: -24.898061 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -7.671 flat angles P-C4'-P energy: -4.262 tors. eta vs tors. theta energy: 1.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -47.720690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720690 (E_RNA) where: Base-Base interactions energy: -20.692 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.008 local terms energy: -27.019892 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -4.586 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -3.203 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: 7 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -46.061467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.061467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.061467 (E_RNA) where: Base-Base interactions energy: -19.851 where: short stacking energy: -19.605 Base-Backbone interact. energy: -0.001 local terms energy: -26.209785 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -6.292 flat angles P-C4'-P energy: -1.282 tors. eta vs tors. theta energy: -2.724 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: 4 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -46.328313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.328313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.328313 (E_RNA) where: Base-Base interactions energy: -14.236 where: short stacking energy: -14.236 Base-Backbone interact. energy: -0.045 local terms energy: -32.047633 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -6.653 tors. eta vs tors. theta energy: -2.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -78.897226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.897226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.897226 (E_RNA) where: Base-Base interactions energy: -45.302 where: short stacking energy: -26.145 Base-Backbone interact. energy: -0.001 local terms energy: -33.594169 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.086 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: -8.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -62.107908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.107908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.107908 (E_RNA) where: Base-Base interactions energy: -24.934 where: short stacking energy: -24.934 Base-Backbone interact. energy: -0.000 local terms energy: -37.173474 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.141 flat angles P-C4'-P energy: -3.959 tors. eta vs tors. theta energy: -9.395 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: 10 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -62.078734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.078734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.078734 (E_RNA) where: Base-Base interactions energy: -27.921 where: short stacking energy: -27.921 Base-Backbone interact. energy: -0.002 local terms energy: -34.155766 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.656 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.549 tors. eta vs tors. theta energy: -6.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -61.299473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.299473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.299473 (E_RNA) where: Base-Base interactions energy: -26.720 where: short stacking energy: -26.013 Base-Backbone interact. energy: -0.000 local terms energy: -34.579026 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -9.183 flat angles P-C4'-P energy: -5.943 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: 5, replica: 1 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -52.566318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.566318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.566318 (E_RNA) where: Base-Base interactions energy: -23.043 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.001 local terms energy: -29.522393 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -5.692 flat angles P-C4'-P energy: -0.634 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: 6, replica: 8 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -48.500731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.500731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.500731 (E_RNA) where: Base-Base interactions energy: -15.708 where: short stacking energy: -16.408 Base-Backbone interact. energy: -0.001 local terms energy: -32.791721 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.627 flat angles P-C4'-P energy: -4.803 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: 7, replica: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -66.290488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.290488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.290488 (E_RNA) where: Base-Base interactions energy: -35.929 where: short stacking energy: -23.965 Base-Backbone interact. energy: -0.014 local terms energy: -30.347804 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -5.783 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.488 tors. eta vs tors. theta energy: -4.304 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: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -41.569885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.569885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.569885 (E_RNA) where: Base-Base interactions energy: -14.636 where: short stacking energy: -14.413 Base-Backbone interact. energy: -0.002 local terms energy: -26.931516 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -7.162 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: 1.747 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: 2 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -38.918833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.918833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.918833 (E_RNA) where: Base-Base interactions energy: -16.687 where: short stacking energy: -13.943 Base-Backbone interact. energy: 1.394 local terms energy: -23.625695 where: bonds (distance) C4'-P energy: -3.191 bonds (distance) P-C4' energy: -6.681 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -1.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -41.425818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.425818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.425818 (E_RNA) where: Base-Base interactions energy: -16.703 where: short stacking energy: -13.289 Base-Backbone interact. energy: -0.057 local terms energy: -24.665968 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -0.125 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: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -64.295341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.295341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.295341 (E_RNA) where: Base-Base interactions energy: -32.230 where: short stacking energy: -24.215 Base-Backbone interact. energy: -0.033 local terms energy: -32.032457 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -6.310 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: 2, replica: 3 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -58.816758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.816758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.816758 (E_RNA) where: Base-Base interactions energy: -24.189 where: short stacking energy: -24.189 Base-Backbone interact. energy: 0.352 local terms energy: -34.979971 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -5.985 flat angles P-C4'-P energy: -5.421 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -53.456770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.456770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.456770 (E_RNA) where: Base-Base interactions energy: -18.899 where: short stacking energy: -17.552 Base-Backbone interact. energy: -0.002 local terms energy: -34.555430 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -3.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -70.364087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.364087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.364087 (E_RNA) where: Base-Base interactions energy: -35.012 where: short stacking energy: -23.672 Base-Backbone interact. energy: -0.000 local terms energy: -35.352017 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -48.803329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.803329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.803329 (E_RNA) where: Base-Base interactions energy: -26.520 where: short stacking energy: -26.520 Base-Backbone interact. energy: -0.018 local terms energy: -22.265594 where: bonds (distance) C4'-P energy: -2.199 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -6.734 flat angles P-C4'-P energy: -3.021 tors. eta vs tors. theta energy: -3.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -50.678638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.678638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.678638 (E_RNA) where: Base-Base interactions energy: -20.478 where: short stacking energy: -20.210 Base-Backbone interact. energy: -0.000 local terms energy: -30.200495 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -1.604 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: 7, replica: 7 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -50.919420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.919420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.919420 (E_RNA) where: Base-Base interactions energy: -18.245 where: short stacking energy: -18.245 Base-Backbone interact. energy: -0.001 local terms energy: -32.673529 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -5.836 flat angles C4'-P-C4' energy: -8.515 flat angles P-C4'-P energy: -7.564 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: 8, replica: 9 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -46.423382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.423382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.423382 (E_RNA) where: Base-Base interactions energy: -16.452 where: short stacking energy: -12.425 Base-Backbone interact. energy: -0.723 local terms energy: -29.248908 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -4.153 tors. eta vs tors. theta energy: -5.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -43.337480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.337480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.337480 (E_RNA) where: Base-Base interactions energy: -16.059 where: short stacking energy: -16.059 Base-Backbone interact. energy: -0.129 local terms energy: -27.149196 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -2.234 tors. eta vs tors. theta energy: -2.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -37.710594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.710594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.710594 (E_RNA) where: Base-Base interactions energy: -14.395 where: short stacking energy: -14.395 Base-Backbone interact. energy: -0.001 local terms energy: -23.314843 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -3.069 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -4.443 tors. eta vs tors. theta energy: -0.975 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: 263 Temperature: 0.900000 Total energy: -63.972390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.972390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.972390 (E_RNA) where: Base-Base interactions energy: -24.352 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.000 local terms energy: -39.620375 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -8.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -67.772976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.772976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.772976 (E_RNA) where: Base-Base interactions energy: -30.967 where: short stacking energy: -27.264 Base-Backbone interact. energy: -0.000 local terms energy: -36.806238 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.073 flat angles P-C4'-P energy: -2.200 tors. eta vs tors. theta energy: -10.194 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -56.568516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.568516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.568516 (E_RNA) where: Base-Base interactions energy: -27.423 where: short stacking energy: -15.870 Base-Backbone interact. energy: -0.120 local terms energy: -29.025857 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -8.521 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -4.964 tors. eta vs tors. theta energy: -0.842 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: 5 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -61.641447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.641447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.641447 (E_RNA) where: Base-Base interactions energy: -28.900 where: short stacking energy: -24.750 Base-Backbone interact. energy: -0.001 local terms energy: -32.740019 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.339 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: 5, replica: 8 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -58.833046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.833046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.833046 (E_RNA) where: Base-Base interactions energy: -23.264 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.000 local terms energy: -35.568493 where: bonds (distance) C4'-P energy: -6.635 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -5.833 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: 6, replica: 7 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -47.360527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.360527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.360527 (E_RNA) where: Base-Base interactions energy: -19.054 where: short stacking energy: -18.583 Base-Backbone interact. energy: -0.010 local terms energy: -28.296175 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -3.215 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -42.008043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.008043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.008043 (E_RNA) where: Base-Base interactions energy: -12.507 where: short stacking energy: -12.507 Base-Backbone interact. energy: -0.025 local terms energy: -29.476117 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.381 flat angles P-C4'-P energy: -5.021 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: 8, replica: 2 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -49.032843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.032843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.032843 (E_RNA) where: Base-Base interactions energy: -17.687 where: short stacking energy: -17.687 Base-Backbone interact. energy: 0.292 local terms energy: -31.637653 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -5.286 tors. eta vs tors. theta energy: -3.437 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: 9 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -44.398063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.398063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.398063 (E_RNA) where: Base-Base interactions energy: -14.580 where: short stacking energy: -13.257 Base-Backbone interact. energy: 0.310 local terms energy: -30.127785 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.527 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -44.050832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.050832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.050832 (E_RNA) where: Base-Base interactions energy: -15.723 where: short stacking energy: -15.723 Base-Backbone interact. energy: -0.021 local terms energy: -28.306168 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -6.473 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.650 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -74.717945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.717945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.717945 (E_RNA) where: Base-Base interactions energy: -37.109 where: short stacking energy: -32.000 Base-Backbone interact. energy: -0.002 local terms energy: -37.606887 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -8.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -62.084719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.084719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.084719 (E_RNA) where: Base-Base interactions energy: -25.721 where: short stacking energy: -25.721 Base-Backbone interact. energy: -0.132 local terms energy: -36.231792 where: bonds (distance) C4'-P energy: -6.211 bonds (distance) P-C4' energy: -7.993 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -6.832 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -66.582878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.582878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.582878 (E_RNA) where: Base-Base interactions energy: -33.506 where: short stacking energy: -23.925 Base-Backbone interact. energy: -0.091 local terms energy: -32.986545 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.492 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -57.037803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.037803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.037803 (E_RNA) where: Base-Base interactions energy: -20.017 where: short stacking energy: -20.017 Base-Backbone interact. energy: -0.000 local terms energy: -37.020623 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -4.886 tors. eta vs tors. theta energy: -8.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -53.741353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.741353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.741353 (E_RNA) where: Base-Base interactions energy: -20.821 where: short stacking energy: -20.821 Base-Backbone interact. energy: -0.000 local terms energy: -32.919865 where: bonds (distance) C4'-P energy: -4.169 bonds (distance) P-C4' energy: -5.276 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -9.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -45.524487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.524487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.524487 (E_RNA) where: Base-Base interactions energy: -19.927 where: short stacking energy: -12.669 Base-Backbone interact. energy: -0.045 local terms energy: -25.552583 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -6.516 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: 1.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -50.808069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.808069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.808069 (E_RNA) where: Base-Base interactions energy: -19.358 where: short stacking energy: -16.720 Base-Backbone interact. energy: -0.000 local terms energy: -31.449942 where: bonds (distance) C4'-P energy: -6.835 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.616 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -5.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -41.588491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.588491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.588491 (E_RNA) where: Base-Base interactions energy: -14.209 where: short stacking energy: -14.209 Base-Backbone interact. energy: -0.088 local terms energy: -27.291701 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -8.145 flat angles P-C4'-P energy: -5.433 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: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -47.307768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.307768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.307768 (E_RNA) where: Base-Base interactions energy: -19.761 where: short stacking energy: -19.761 Base-Backbone interact. energy: -0.000 local terms energy: -27.546653 where: bonds (distance) C4'-P energy: -7.291 bonds (distance) P-C4' energy: -3.886 flat angles C4'-P-C4' energy: -7.394 flat angles P-C4'-P energy: -3.617 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: 10, replica: 9 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -46.378763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.378763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.378763 (E_RNA) where: Base-Base interactions energy: -15.545 where: short stacking energy: -8.599 Base-Backbone interact. energy: -0.015 local terms energy: -30.819464 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -2.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -74.786908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.786908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.786908 (E_RNA) where: Base-Base interactions energy: -39.988 where: short stacking energy: -21.494 Base-Backbone interact. energy: -0.004 local terms energy: -34.794352 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.662 flat angles P-C4'-P energy: -5.115 tors. eta vs tors. theta energy: -4.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -53.768242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.768242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.768242 (E_RNA) where: Base-Base interactions energy: -18.735 where: short stacking energy: -18.735 Base-Backbone interact. energy: -0.019 local terms energy: -35.014828 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -5.234 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -62.538636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.538636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.538636 (E_RNA) where: Base-Base interactions energy: -29.516 where: short stacking energy: -29.516 Base-Backbone interact. energy: -0.000 local terms energy: -33.022455 where: bonds (distance) C4'-P energy: -4.376 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.712 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -7.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -59.050919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.050919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.050919 (E_RNA) where: Base-Base interactions energy: -25.565 where: short stacking energy: -25.565 Base-Backbone interact. energy: -0.000 local terms energy: -33.485550 where: bonds (distance) C4'-P energy: -6.015 bonds (distance) P-C4' energy: -7.767 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -3.772 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: 5, replica: 7 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -50.263730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.263730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.263730 (E_RNA) where: Base-Base interactions energy: -26.366 where: short stacking energy: -12.378 Base-Backbone interact. energy: -0.226 local terms energy: -23.672104 where: bonds (distance) C4'-P energy: -7.552 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.745 flat angles P-C4'-P energy: -2.292 tors. eta vs tors. theta energy: -1.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -58.035996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.035996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.035996 (E_RNA) where: Base-Base interactions energy: -32.802 where: short stacking energy: -14.927 Base-Backbone interact. energy: -0.044 local terms energy: -25.189373 where: bonds (distance) C4'-P energy: -7.575 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -4.121 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: 7, replica: 2 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -51.372107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.372107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.372107 (E_RNA) where: Base-Base interactions energy: -25.191 where: short stacking energy: -11.415 Base-Backbone interact. energy: 0.399 local terms energy: -26.579787 where: bonds (distance) C4'-P energy: -3.841 bonds (distance) P-C4' energy: -9.051 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.866 tors. eta vs tors. theta energy: -1.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -41.602194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.602194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.602194 (E_RNA) where: Base-Base interactions energy: -17.449 where: short stacking energy: -17.449 Base-Backbone interact. energy: -0.006 local terms energy: -24.146457 where: bonds (distance) C4'-P energy: -6.532 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -3.899 flat angles P-C4'-P energy: -2.971 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -45.361899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.361899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.361899 (E_RNA) where: Base-Base interactions energy: -21.910 where: short stacking energy: -16.212 Base-Backbone interact. energy: 2.298 local terms energy: -25.750401 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -6.864 flat angles C4'-P-C4' energy: -6.110 flat angles P-C4'-P energy: -5.703 tors. eta vs tors. theta energy: 1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -42.141039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.141039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.141039 (E_RNA) where: Base-Base interactions energy: -9.760 where: short stacking energy: -9.760 Base-Backbone interact. energy: -0.195 local terms energy: -32.185945 where: bonds (distance) C4'-P energy: -5.037 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.770 flat angles P-C4'-P energy: -6.698 tors. eta vs tors. theta energy: -4.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -58.311495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.311495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.311495 (E_RNA) where: Base-Base interactions energy: -22.440 where: short stacking energy: -22.440 Base-Backbone interact. energy: -0.014 local terms energy: -35.856827 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.781 flat angles P-C4'-P energy: -5.133 tors. eta vs tors. theta energy: -7.777 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: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -56.054124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.054124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.054124 (E_RNA) where: Base-Base interactions energy: -21.514 where: short stacking energy: -21.514 Base-Backbone interact. energy: -0.061 local terms energy: -34.478835 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -7.144 flat angles P-C4'-P energy: -6.807 tors. eta vs tors. theta energy: -6.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -49.606072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.606072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.606072 (E_RNA) where: Base-Base interactions energy: -24.085 where: short stacking energy: -14.237 Base-Backbone interact. energy: -0.003 local terms energy: -25.518597 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -6.793 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -4.374 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: 4, replica: 5 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -47.991356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.991356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.991356 (E_RNA) where: Base-Base interactions energy: -19.349 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.076 local terms energy: -28.566987 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -4.621 flat angles C4'-P-C4' energy: -8.463 flat angles P-C4'-P energy: -3.443 tors. eta vs tors. theta energy: -3.741 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: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -57.120161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.120161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.120161 (E_RNA) where: Base-Base interactions energy: -28.654 where: short stacking energy: -18.007 Base-Backbone interact. energy: -0.000 local terms energy: -28.466064 where: bonds (distance) C4'-P energy: -5.067 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -4.248 tors. eta vs tors. theta energy: -2.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -45.546520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.546520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.546520 (E_RNA) where: Base-Base interactions energy: -13.912 where: short stacking energy: -13.912 Base-Backbone interact. energy: -0.001 local terms energy: -31.632708 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -3.919 tors. eta vs tors. theta energy: -4.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -46.279219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.279219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.279219 (E_RNA) where: Base-Base interactions energy: -18.604 where: short stacking energy: -18.604 Base-Backbone interact. energy: -0.168 local terms energy: -27.507225 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -3.412 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: 8, replica: 2 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -48.899960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.899960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.899960 (E_RNA) where: Base-Base interactions energy: -25.400 where: short stacking energy: -17.345 Base-Backbone interact. energy: -0.007 local terms energy: -23.493224 where: bonds (distance) C4'-P energy: -2.475 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -1.972 flat angles P-C4'-P energy: -6.364 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: 9, replica: 1 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -44.914461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.914461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.914461 (E_RNA) where: Base-Base interactions energy: -12.060 where: short stacking energy: -11.757 Base-Backbone interact. energy: -0.072 local terms energy: -32.782352 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -6.927 flat angles P-C4'-P energy: -7.124 tors. eta vs tors. theta energy: -2.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -40.029752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.029752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.029752 (E_RNA) where: Base-Base interactions energy: -18.610 where: short stacking energy: -16.826 Base-Backbone interact. energy: -0.001 local terms energy: -21.419371 where: bonds (distance) C4'-P energy: -4.586 bonds (distance) P-C4' energy: -5.646 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -1.770 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: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -66.471460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.471460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.471460 (E_RNA) where: Base-Base interactions energy: -31.118 where: short stacking energy: -31.118 Base-Backbone interact. energy: -0.083 local terms energy: -35.270738 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.100 flat angles C4'-P-C4' energy: -5.262 flat angles P-C4'-P energy: -6.874 tors. eta vs tors. theta energy: -7.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -68.457529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.457529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.457529 (E_RNA) where: Base-Base interactions energy: -30.579 where: short stacking energy: -28.756 Base-Backbone interact. energy: -1.064 local terms energy: -36.814892 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -6.748 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -6.874 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: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -59.054848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.054848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.054848 (E_RNA) where: Base-Base interactions energy: -24.553 where: short stacking energy: -24.553 Base-Backbone interact. energy: -0.001 local terms energy: -34.501480 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -5.308 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: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -60.919428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.919428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.919428 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -16.366 Base-Backbone interact. energy: -0.153 local terms energy: -30.872360 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -4.011 tors. eta vs tors. theta energy: -3.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -62.644388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.644388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.644388 (E_RNA) where: Base-Base interactions energy: -25.745 where: short stacking energy: -25.745 Base-Backbone interact. energy: -0.000 local terms energy: -36.899698 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.102 tors. eta vs tors. theta energy: -7.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -54.390188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.390188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.390188 (E_RNA) where: Base-Base interactions energy: -23.129 where: short stacking energy: -23.129 Base-Backbone interact. energy: -0.056 local terms energy: -31.204885 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -5.998 flat angles C4'-P-C4' energy: -5.508 flat angles P-C4'-P energy: -4.944 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: 7, replica: 7 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -44.579730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.579730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.579730 (E_RNA) where: Base-Base interactions energy: -14.313 where: short stacking energy: -13.321 Base-Backbone interact. energy: -0.535 local terms energy: -29.731645 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -5.637 flat angles P-C4'-P energy: -6.088 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: 8, replica: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -48.697671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.697671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.697671 (E_RNA) where: Base-Base interactions energy: -19.875 where: short stacking energy: -19.875 Base-Backbone interact. energy: -0.043 local terms energy: -28.779618 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -6.889 flat angles C4'-P-C4' energy: -5.658 flat angles P-C4'-P energy: -3.982 tors. eta vs tors. theta energy: -5.330 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: 2 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -45.259288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.259288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.259288 (E_RNA) where: Base-Base interactions energy: -16.157 where: short stacking energy: -16.157 Base-Backbone interact. energy: -0.075 local terms energy: -29.026908 where: bonds (distance) C4'-P energy: -7.203 bonds (distance) P-C4' energy: -6.188 flat angles C4'-P-C4' energy: -6.580 flat angles P-C4'-P energy: -7.049 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: 10, replica: 9 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -39.965278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.965278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.965278 (E_RNA) where: Base-Base interactions energy: -11.965 where: short stacking energy: -11.748 Base-Backbone interact. energy: -0.054 local terms energy: -27.945934 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -1.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -68.959014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.959014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.959014 (E_RNA) where: Base-Base interactions energy: -34.431 where: short stacking energy: -23.935 Base-Backbone interact. energy: -0.000 local terms energy: -34.527759 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -5.033 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: 10 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -61.871077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.871077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.871077 (E_RNA) where: Base-Base interactions energy: -28.115 where: short stacking energy: -28.115 Base-Backbone interact. energy: -0.001 local terms energy: -33.755273 where: bonds (distance) C4'-P energy: -4.675 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.719 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -9.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -50.809946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.809946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.809946 (E_RNA) where: Base-Base interactions energy: -21.168 where: short stacking energy: -21.168 Base-Backbone interact. energy: -0.013 local terms energy: -29.628202 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.285 flat angles P-C4'-P energy: -1.635 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: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -52.615813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.615813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.615813 (E_RNA) where: Base-Base interactions energy: -19.807 where: short stacking energy: -18.463 Base-Backbone interact. energy: 0.240 local terms energy: -33.049418 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.692 flat angles P-C4'-P energy: -4.327 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: 5, replica: 4 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -51.218148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.218148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.218148 (E_RNA) where: Base-Base interactions energy: -20.701 where: short stacking energy: -13.175 Base-Backbone interact. energy: -0.116 local terms energy: -30.400997 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -5.197 tors. eta vs tors. theta energy: -1.460 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: 5 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -51.949830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.949830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.949830 (E_RNA) where: Base-Base interactions energy: -18.247 where: short stacking energy: -12.295 Base-Backbone interact. energy: -0.025 local terms energy: -33.677231 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -7.329 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: 7, replica: 1 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -50.172536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.172536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.172536 (E_RNA) where: Base-Base interactions energy: -21.315 where: short stacking energy: -15.188 Base-Backbone interact. energy: 0.455 local terms energy: -29.311953 where: bonds (distance) C4'-P energy: -4.810 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -4.567 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -37.296312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.296312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.296312 (E_RNA) where: Base-Base interactions energy: -11.554 where: short stacking energy: -11.554 Base-Backbone interact. energy: -0.621 local terms energy: -25.120904 where: bonds (distance) C4'-P energy: -5.899 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.417 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -47.368791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.368791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.368791 (E_RNA) where: Base-Base interactions energy: -16.779 where: short stacking energy: -16.779 Base-Backbone interact. energy: -0.028 local terms energy: -30.562022 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.519 flat angles P-C4'-P energy: -3.159 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: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -45.521254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.521254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.521254 (E_RNA) where: Base-Base interactions energy: -17.121 where: short stacking energy: -17.114 Base-Backbone interact. energy: 0.539 local terms energy: -28.939429 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -3.525 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: 1, replica: 3 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -75.796950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.796950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.796950 (E_RNA) where: Base-Base interactions energy: -41.512 where: short stacking energy: -23.370 Base-Backbone interact. energy: -0.063 local terms energy: -34.221278 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.340 flat angles C4'-P-C4' energy: -8.444 flat angles P-C4'-P energy: -3.604 tors. eta vs tors. theta energy: -5.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -66.109243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.109243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.109243 (E_RNA) where: Base-Base interactions energy: -26.951 where: short stacking energy: -26.951 Base-Backbone interact. energy: -0.001 local terms energy: -39.157386 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.202 flat angles P-C4'-P energy: -7.337 tors. eta vs tors. theta energy: -7.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -59.706177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.706177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.706177 (E_RNA) where: Base-Base interactions energy: -29.039 where: short stacking energy: -24.829 Base-Backbone interact. energy: -0.025 local terms energy: -30.643031 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.971 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -4.794 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: 4, replica: 4 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -68.653849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.653849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.653849 (E_RNA) where: Base-Base interactions energy: -32.481 where: short stacking energy: -29.851 Base-Backbone interact. energy: -0.104 local terms energy: -36.069486 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: -10.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -48.129450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.129450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.129450 (E_RNA) where: Base-Base interactions energy: -20.335 where: short stacking energy: -20.335 Base-Backbone interact. energy: -0.048 local terms energy: -27.746769 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.995 flat angles P-C4'-P energy: -4.855 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: 5 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -48.133959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.133959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.133959 (E_RNA) where: Base-Base interactions energy: -16.429 where: short stacking energy: -16.429 Base-Backbone interact. energy: -0.003 local terms energy: -31.702446 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.428 flat angles P-C4'-P energy: -5.355 tors. eta vs tors. theta energy: -1.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -52.465638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.465638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.465638 (E_RNA) where: Base-Base interactions energy: -25.611 where: short stacking energy: -19.343 Base-Backbone interact. energy: -0.001 local terms energy: -26.852727 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -5.708 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -5.926 tors. eta vs tors. theta energy: -2.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -42.688748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.688748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.688748 (E_RNA) where: Base-Base interactions energy: -14.563 where: short stacking energy: -14.563 Base-Backbone interact. energy: -0.140 local terms energy: -27.985784 where: bonds (distance) C4'-P energy: -4.641 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -4.637 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: 9 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -37.025708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.025708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.025708 (E_RNA) where: Base-Base interactions energy: -12.855 where: short stacking energy: -7.907 Base-Backbone interact. energy: -0.020 local terms energy: -24.151022 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -4.664 flat angles P-C4'-P energy: -5.227 tors. eta vs tors. theta energy: -1.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -37.170117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.170117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.170117 (E_RNA) where: Base-Base interactions energy: -16.016 where: short stacking energy: -13.084 Base-Backbone interact. energy: -0.040 local terms energy: -21.114655 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -7.456 flat angles C4'-P-C4' energy: -4.445 flat angles P-C4'-P energy: -3.076 tors. eta vs tors. theta energy: 0.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -62.497642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.497642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.497642 (E_RNA) where: Base-Base interactions energy: -29.525 where: short stacking energy: -29.525 Base-Backbone interact. energy: -0.000 local terms energy: -32.972778 where: bonds (distance) C4'-P energy: -5.800 bonds (distance) P-C4' energy: -5.797 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -6.573 tors. eta vs tors. theta energy: -7.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -70.084598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.084598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.084598 (E_RNA) where: Base-Base interactions energy: -34.114 where: short stacking energy: -25.787 Base-Backbone interact. energy: -0.001 local terms energy: -35.969813 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -6.009 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -62.312278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.312278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.312278 (E_RNA) where: Base-Base interactions energy: -32.188 where: short stacking energy: -27.464 Base-Backbone interact. energy: 2.188 local terms energy: -32.312648 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.262 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -9.641 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: 4, replica: 10 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -54.927645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.927645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.927645 (E_RNA) where: Base-Base interactions energy: -22.811 where: short stacking energy: -23.080 Base-Backbone interact. energy: 1.870 local terms energy: -33.987243 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -3.333 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: 5, replica: 5 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -55.844247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.844247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.844247 (E_RNA) where: Base-Base interactions energy: -21.641 where: short stacking energy: -21.139 Base-Backbone interact. energy: -0.086 local terms energy: -34.116828 where: bonds (distance) C4'-P energy: -4.571 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -6.455 tors. eta vs tors. theta energy: -5.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -47.158799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.158799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.158799 (E_RNA) where: Base-Base interactions energy: -14.203 where: short stacking energy: -13.681 Base-Backbone interact. energy: -0.052 local terms energy: -32.903051 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -56.170228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.170228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.170228 (E_RNA) where: Base-Base interactions energy: -29.829 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.004 local terms energy: -26.337639 where: bonds (distance) C4'-P energy: -4.905 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.796 flat angles P-C4'-P energy: -3.301 tors. eta vs tors. theta energy: -4.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -41.386157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.386157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.386157 (E_RNA) where: Base-Base interactions energy: -12.743 where: short stacking energy: -12.743 Base-Backbone interact. energy: -0.940 local terms energy: -27.703621 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.716 flat angles C4'-P-C4' energy: -4.085 flat angles P-C4'-P energy: -4.501 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: 9, replica: 2 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -38.103046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.103046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.103046 (E_RNA) where: Base-Base interactions energy: -13.707 where: short stacking energy: -13.707 Base-Backbone interact. energy: -0.013 local terms energy: -24.383564 where: bonds (distance) C4'-P energy: -4.809 bonds (distance) P-C4' energy: -6.426 flat angles C4'-P-C4' energy: -3.116 flat angles P-C4'-P energy: -5.141 tors. eta vs tors. theta energy: -4.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -45.918386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.918386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.918386 (E_RNA) where: Base-Base interactions energy: -16.029 where: short stacking energy: -16.029 Base-Backbone interact. energy: -0.016 local terms energy: -29.873508 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.473 flat angles P-C4'-P energy: -2.597 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: 8 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -64.528554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.528554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.528554 (E_RNA) where: Base-Base interactions energy: -29.385 where: short stacking energy: -29.385 Base-Backbone interact. energy: -0.000 local terms energy: -35.143215 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.806 flat angles P-C4'-P energy: -5.266 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: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -63.814643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.814643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.814643 (E_RNA) where: Base-Base interactions energy: -24.351 where: short stacking energy: -24.351 Base-Backbone interact. energy: -0.000 local terms energy: -39.463512 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -5.395 tors. eta vs tors. theta energy: -8.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -65.693372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.693372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.693372 (E_RNA) where: Base-Base interactions energy: -28.432 where: short stacking energy: -27.913 Base-Backbone interact. energy: -0.007 local terms energy: -37.254110 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -5.900 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -52.211931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.211931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.211931 (E_RNA) where: Base-Base interactions energy: -24.733 where: short stacking energy: -24.733 Base-Backbone interact. energy: -0.000 local terms energy: -27.478452 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.854 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: 5, replica: 10 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -56.286092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.286092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.286092 (E_RNA) where: Base-Base interactions energy: -20.221 where: short stacking energy: -20.221 Base-Backbone interact. energy: -0.033 local terms energy: -36.031705 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -5.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -54.068783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.068783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.068783 (E_RNA) where: Base-Base interactions energy: -27.221 where: short stacking energy: -23.051 Base-Backbone interact. energy: -0.525 local terms energy: -26.322913 where: bonds (distance) C4'-P energy: -5.340 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -5.159 flat angles P-C4'-P energy: -0.487 tors. eta vs tors. theta energy: -7.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -46.196342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.196342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.196342 (E_RNA) where: Base-Base interactions energy: -20.086 where: short stacking energy: -15.267 Base-Backbone interact. energy: 1.898 local terms energy: -28.008148 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -5.242 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: 8, replica: 2 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -44.201332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.201332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.201332 (E_RNA) where: Base-Base interactions energy: -19.880 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.002 local terms energy: -24.319253 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -2.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -40.695105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.695105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.695105 (E_RNA) where: Base-Base interactions energy: -19.902 where: short stacking energy: -18.200 Base-Backbone interact. energy: -0.015 local terms energy: -20.777751 where: bonds (distance) C4'-P energy: -5.220 bonds (distance) P-C4' energy: -7.039 flat angles C4'-P-C4' energy: -2.065 flat angles P-C4'-P energy: -3.269 tors. eta vs tors. theta energy: -3.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -45.328350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.328350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.328350 (E_RNA) where: Base-Base interactions energy: -21.144 where: short stacking energy: -12.830 Base-Backbone interact. energy: -0.026 local terms energy: -24.158053 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -2.230 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: 272 Temperature: 0.900000 Total energy: -71.898843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.898843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.898843 (E_RNA) where: Base-Base interactions energy: -32.137 where: short stacking energy: -32.137 Base-Backbone interact. energy: -0.000 local terms energy: -39.761537 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -6.522 flat angles P-C4'-P energy: -6.389 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: 2, replica: 8 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -62.572739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.572739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.572739 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -25.254 Base-Backbone interact. energy: -0.000 local terms energy: -37.319143 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.860 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -4.872 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: 3, replica: 5 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -66.038515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.038515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.038515 (E_RNA) where: Base-Base interactions energy: -29.471 where: short stacking energy: -29.471 Base-Backbone interact. energy: -0.000 local terms energy: -36.567842 where: bonds (distance) C4'-P energy: -6.156 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.530 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: 4, replica: 3 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -53.886831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.886831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.886831 (E_RNA) where: Base-Base interactions energy: -22.814 where: short stacking energy: -22.814 Base-Backbone interact. energy: -0.061 local terms energy: -31.011700 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -8.251 flat angles P-C4'-P energy: -5.478 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: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -58.306634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.306634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.306634 (E_RNA) where: Base-Base interactions energy: -26.578 where: short stacking energy: -22.175 Base-Backbone interact. energy: -0.219 local terms energy: -31.509879 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.725 flat angles C4'-P-C4' energy: -8.880 flat angles P-C4'-P energy: -2.375 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: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -55.362893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.362893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.362893 (E_RNA) where: Base-Base interactions energy: -21.877 where: short stacking energy: -19.732 Base-Backbone interact. energy: -0.044 local terms energy: -33.441212 where: bonds (distance) C4'-P energy: -7.007 bonds (distance) P-C4' energy: -8.389 flat angles C4'-P-C4' energy: -6.845 flat angles P-C4'-P energy: -5.066 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -54.684540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.684540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.684540 (E_RNA) where: Base-Base interactions energy: -24.903 where: short stacking energy: -24.903 Base-Backbone interact. energy: -0.001 local terms energy: -29.781068 where: bonds (distance) C4'-P energy: -5.455 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -4.804 flat angles P-C4'-P energy: -3.940 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -42.425711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.425711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.425711 (E_RNA) where: Base-Base interactions energy: -12.535 where: short stacking energy: -12.535 Base-Backbone interact. energy: 0.150 local terms energy: -30.040741 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -5.573 tors. eta vs tors. theta energy: -1.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -43.355821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.355821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.355821 (E_RNA) where: Base-Base interactions energy: -18.317 where: short stacking energy: -16.638 Base-Backbone interact. energy: -0.050 local terms energy: -24.988299 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -6.216 flat angles C4'-P-C4' energy: -6.028 flat angles P-C4'-P energy: -4.293 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: 10, replica: 1 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -46.717890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.717890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.717890 (E_RNA) where: Base-Base interactions energy: -16.455 where: short stacking energy: -11.436 Base-Backbone interact. energy: -1.085 local terms energy: -29.178103 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.566 flat angles P-C4'-P energy: -5.696 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: 1, replica: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -70.904402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.904402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.904402 (E_RNA) where: Base-Base interactions energy: -28.667 where: short stacking energy: -28.667 Base-Backbone interact. energy: -0.000 local terms energy: -42.237141 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -9.428 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: 8 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -67.743555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.743555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.743555 (E_RNA) where: Base-Base interactions energy: -28.953 where: short stacking energy: -28.953 Base-Backbone interact. energy: -0.000 local terms energy: -38.790971 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -59.669345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.669345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.669345 (E_RNA) where: Base-Base interactions energy: -26.819 where: short stacking energy: -16.158 Base-Backbone interact. energy: -0.197 local terms energy: -32.653636 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.244 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -4.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -57.367213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.367213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.367213 (E_RNA) where: Base-Base interactions energy: -26.970 where: short stacking energy: -19.071 Base-Backbone interact. energy: -0.026 local terms energy: -30.371335 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -7.657 flat angles P-C4'-P energy: -1.820 tors. eta vs tors. theta energy: -4.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -54.754531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.754531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.754531 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.050 local terms energy: -33.133361 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -59.090724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.090724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.090724 (E_RNA) where: Base-Base interactions energy: -29.219 where: short stacking energy: -19.827 Base-Backbone interact. energy: 0.591 local terms energy: -30.462327 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -6.455 flat angles C4'-P-C4' energy: -6.164 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: -4.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -47.130448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.130448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.130448 (E_RNA) where: Base-Base interactions energy: -18.134 where: short stacking energy: -18.134 Base-Backbone interact. energy: -0.098 local terms energy: -28.898512 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.635 flat angles P-C4'-P energy: -4.816 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: 8, replica: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -41.918805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.918805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.918805 (E_RNA) where: Base-Base interactions energy: -11.456 where: short stacking energy: -11.456 Base-Backbone interact. energy: -0.206 local terms energy: -30.256371 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -40.984334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.984334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.984334 (E_RNA) where: Base-Base interactions energy: -14.759 where: short stacking energy: -14.098 Base-Backbone interact. energy: -0.169 local terms energy: -26.055672 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -5.244 tors. eta vs tors. theta energy: -1.390 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: 10, replica: 1 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -41.217761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.217761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.217761 (E_RNA) where: Base-Base interactions energy: -15.798 where: short stacking energy: -9.908 Base-Backbone interact. energy: -0.079 local terms energy: -25.341467 where: bonds (distance) C4'-P energy: -6.488 bonds (distance) P-C4' energy: -7.259 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -4.907 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: 1, replica: 8 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -68.837390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.837390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.837390 (E_RNA) where: Base-Base interactions energy: -30.330 where: short stacking energy: -22.260 Base-Backbone interact. energy: -0.040 local terms energy: -38.467361 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -6.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -73.800060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.800060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.800060 (E_RNA) where: Base-Base interactions energy: -37.263 where: short stacking energy: -26.307 Base-Backbone interact. energy: -0.000 local terms energy: -36.537336 where: bonds (distance) C4'-P energy: -5.299 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.804 tors. eta vs tors. theta energy: -8.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -55.287616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.287616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.287616 (E_RNA) where: Base-Base interactions energy: -23.225 where: short stacking energy: -19.457 Base-Backbone interact. energy: -1.126 local terms energy: -30.936636 where: bonds (distance) C4'-P energy: -4.624 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -5.871 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: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -74.104706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.104706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.104706 (E_RNA) where: Base-Base interactions energy: -40.085 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.025 local terms energy: -33.995118 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -6.745 flat angles C4'-P-C4' energy: -6.906 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -5.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -45.541298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.541298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.541298 (E_RNA) where: Base-Base interactions energy: -19.740 where: short stacking energy: -18.796 Base-Backbone interact. energy: -0.026 local terms energy: -25.775686 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -5.027 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -3.827 tors. eta vs tors. theta energy: -1.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -48.721105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.721105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.721105 (E_RNA) where: Base-Base interactions energy: -22.554 where: short stacking energy: -21.162 Base-Backbone interact. energy: -0.002 local terms energy: -26.165675 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.076 flat angles C4'-P-C4' energy: -7.231 flat angles P-C4'-P energy: -1.873 tors. eta vs tors. theta energy: -3.052 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -54.148189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.148189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.148189 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -16.640 Base-Backbone interact. energy: -0.476 local terms energy: -29.706396 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -7.763 flat angles P-C4'-P energy: -4.991 tors. eta vs tors. theta energy: -2.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -46.163297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.163297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.163297 (E_RNA) where: Base-Base interactions energy: -19.823 where: short stacking energy: -18.810 Base-Backbone interact. energy: -0.121 local terms energy: -26.218638 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -3.542 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -2.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -43.943964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.943964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.943964 (E_RNA) where: Base-Base interactions energy: -20.034 where: short stacking energy: -11.341 Base-Backbone interact. energy: -0.064 local terms energy: -23.846102 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -3.514 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -38.294525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.294525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.294525 (E_RNA) where: Base-Base interactions energy: -14.821 where: short stacking energy: -14.821 Base-Backbone interact. energy: -0.354 local terms energy: -23.119141 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -1.039 flat angles P-C4'-P energy: -2.927 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: 1, replica: 8 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -59.010373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.010373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.010373 (E_RNA) where: Base-Base interactions energy: -25.619 where: short stacking energy: -25.619 Base-Backbone interact. energy: -0.002 local terms energy: -33.389306 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -5.487 flat angles P-C4'-P energy: -3.772 tors. eta vs tors. theta energy: -8.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -60.077375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.077375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.077375 (E_RNA) where: Base-Base interactions energy: -26.318 where: short stacking energy: -18.439 Base-Backbone interact. energy: -0.047 local terms energy: -33.712850 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -5.972 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: 3, replica: 7 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -60.658451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.658451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.658451 (E_RNA) where: Base-Base interactions energy: -27.242 where: short stacking energy: -27.242 Base-Backbone interact. energy: -0.002 local terms energy: -33.414560 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -8.732 flat angles P-C4'-P energy: -3.519 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: 4, replica: 6 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -64.852492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.852492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.852492 (E_RNA) where: Base-Base interactions energy: -28.134 where: short stacking energy: -25.248 Base-Backbone interact. energy: -0.001 local terms energy: -36.717561 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -7.242 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -58.688138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.688138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.688138 (E_RNA) where: Base-Base interactions energy: -28.354 where: short stacking energy: -28.354 Base-Backbone interact. energy: -0.558 local terms energy: -29.776768 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.375 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -3.364 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: 6, replica: 9 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -49.307525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.307525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.307525 (E_RNA) where: Base-Base interactions energy: -17.860 where: short stacking energy: -17.546 Base-Backbone interact. energy: -0.014 local terms energy: -31.432841 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -6.949 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -4.608 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: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -43.890456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.890456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.890456 (E_RNA) where: Base-Base interactions energy: -15.655 where: short stacking energy: -14.474 Base-Backbone interact. energy: -0.024 local terms energy: -28.211723 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.859 flat angles P-C4'-P energy: -6.249 tors. eta vs tors. theta energy: 2.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -45.233773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.233773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.233773 (E_RNA) where: Base-Base interactions energy: -21.037 where: short stacking energy: -19.593 Base-Backbone interact. energy: -0.346 local terms energy: -23.851135 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -3.738 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -3.581 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: 9, replica: 1 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -37.207111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.207111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.207111 (E_RNA) where: Base-Base interactions energy: -14.443 where: short stacking energy: -8.613 Base-Backbone interact. energy: -0.106 local terms energy: -22.658607 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -6.461 flat angles P-C4'-P energy: -3.801 tors. eta vs tors. theta energy: 2.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -40.692716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.692716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.692716 (E_RNA) where: Base-Base interactions energy: -18.937 where: short stacking energy: -15.359 Base-Backbone interact. energy: -0.001 local terms energy: -21.754809 where: bonds (distance) C4'-P energy: -4.442 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -3.071 flat angles P-C4'-P energy: -6.468 tors. eta vs tors. theta energy: 0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -59.885659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.885659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.885659 (E_RNA) where: Base-Base interactions energy: -24.510 where: short stacking energy: -24.510 Base-Backbone interact. energy: -0.024 local terms energy: -35.351312 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -66.745433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.745433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.745433 (E_RNA) where: Base-Base interactions energy: -32.205 where: short stacking energy: -32.205 Base-Backbone interact. energy: -0.000 local terms energy: -34.540318 where: bonds (distance) C4'-P energy: -4.003 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -4.939 tors. eta vs tors. theta energy: -8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -61.647209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.647209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.647209 (E_RNA) where: Base-Base interactions energy: -21.456 where: short stacking energy: -21.456 Base-Backbone interact. energy: -0.000 local terms energy: -40.191264 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -7.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -61.009751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.009751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.009751 (E_RNA) where: Base-Base interactions energy: -22.854 where: short stacking energy: -22.854 Base-Backbone interact. energy: -0.082 local terms energy: -38.073764 where: bonds (distance) C4'-P energy: -6.751 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -7.032 tors. eta vs tors. theta energy: -7.456 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: 9 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -54.581979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.581979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.581979 (E_RNA) where: Base-Base interactions energy: -20.579 where: short stacking energy: -20.579 Base-Backbone interact. energy: -0.001 local terms energy: -34.002031 where: bonds (distance) C4'-P energy: -6.545 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -4.606 tors. eta vs tors. theta energy: -5.585 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: 6, replica: 5 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -49.615476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.615476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.615476 (E_RNA) where: Base-Base interactions energy: -21.932 where: short stacking energy: -21.932 Base-Backbone interact. energy: -0.100 local terms energy: -27.583779 where: bonds (distance) C4'-P energy: -3.606 bonds (distance) P-C4' energy: -7.851 flat angles C4'-P-C4' energy: -8.615 flat angles P-C4'-P energy: -1.081 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: 7, replica: 10 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -50.682152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.682152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.682152 (E_RNA) where: Base-Base interactions energy: -20.582 where: short stacking energy: -20.682 Base-Backbone interact. energy: 0.039 local terms energy: -30.139877 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -9.180 flat angles P-C4'-P energy: -4.235 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -50.258778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.258778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.258778 (E_RNA) where: Base-Base interactions energy: -21.302 where: short stacking energy: -21.302 Base-Backbone interact. energy: -0.003 local terms energy: -28.953988 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.372 flat angles P-C4'-P energy: -2.534 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: 2 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -38.901443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.901443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.901443 (E_RNA) where: Base-Base interactions energy: -13.691 where: short stacking energy: -13.691 Base-Backbone interact. energy: -0.004 local terms energy: -25.205982 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -5.995 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -2.550 tors. eta vs tors. theta energy: -1.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -39.993434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.993434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.993434 (E_RNA) where: Base-Base interactions energy: -12.818 where: short stacking energy: -12.818 Base-Backbone interact. energy: -0.001 local terms energy: -27.175022 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -4.710 flat angles P-C4'-P energy: -5.666 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: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -56.586486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.586486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.586486 (E_RNA) where: Base-Base interactions energy: -19.690 where: short stacking energy: -19.690 Base-Backbone interact. energy: -0.018 local terms energy: -36.878079 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.053 flat angles P-C4'-P energy: -7.051 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: 2, replica: 7 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -63.533276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.533276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.533276 (E_RNA) where: Base-Base interactions energy: -26.550 where: short stacking energy: -26.550 Base-Backbone interact. energy: -0.000 local terms energy: -36.982930 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.108 flat angles P-C4'-P energy: -3.667 tors. eta vs tors. theta energy: -7.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -57.000859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.000859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.000859 (E_RNA) where: Base-Base interactions energy: -21.329 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.139 local terms energy: -35.532628 where: bonds (distance) C4'-P energy: -5.654 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -6.670 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: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -52.362022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.362022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.362022 (E_RNA) where: Base-Base interactions energy: -17.987 where: short stacking energy: -17.987 Base-Backbone interact. energy: -0.496 local terms energy: -33.879635 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -8.466 flat angles P-C4'-P energy: -4.699 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: 5, replica: 9 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -58.191778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.191778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.191778 (E_RNA) where: Base-Base interactions energy: -23.398 where: short stacking energy: -23.398 Base-Backbone interact. energy: -0.000 local terms energy: -34.793865 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -3.396 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: 6, replica: 10 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -48.202880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.202880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.202880 (E_RNA) where: Base-Base interactions energy: -15.562 where: short stacking energy: -15.159 Base-Backbone interact. energy: 1.199 local terms energy: -33.840495 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.786 flat angles P-C4'-P energy: -7.081 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: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -47.534291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.534291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.534291 (E_RNA) where: Base-Base interactions energy: -19.966 where: short stacking energy: -19.966 Base-Backbone interact. energy: -0.000 local terms energy: -27.568691 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -6.196 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -0.417 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: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -43.510736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.510736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.510736 (E_RNA) where: Base-Base interactions energy: -16.919 where: short stacking energy: -16.803 Base-Backbone interact. energy: -0.212 local terms energy: -26.379582 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.009 flat angles C4'-P-C4' energy: -8.101 flat angles P-C4'-P energy: -3.835 tors. eta vs tors. theta energy: 0.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -42.423712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.423712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.423712 (E_RNA) where: Base-Base interactions energy: -16.380 where: short stacking energy: -11.839 Base-Backbone interact. energy: -0.098 local terms energy: -25.946132 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -4.342 flat angles P-C4'-P energy: -4.790 tors. eta vs tors. theta energy: -1.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -47.712086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.712086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.712086 (E_RNA) where: Base-Base interactions energy: -21.259 where: short stacking energy: -21.259 Base-Backbone interact. energy: -0.094 local terms energy: -26.358435 where: bonds (distance) C4'-P energy: -5.315 bonds (distance) P-C4' energy: -5.960 flat angles C4'-P-C4' energy: -6.917 flat angles P-C4'-P energy: -3.858 tors. eta vs tors. theta energy: -4.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -72.700701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.700701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.700701 (E_RNA) where: Base-Base interactions energy: -37.952 where: short stacking energy: -23.483 Base-Backbone interact. energy: -0.707 local terms energy: -34.042118 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -6.560 flat angles C4'-P-C4' energy: -9.354 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -6.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -67.914695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.914695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.914695 (E_RNA) where: Base-Base interactions energy: -28.542 where: short stacking energy: -28.542 Base-Backbone interact. energy: -0.000 local terms energy: -39.372510 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -9.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -65.084683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.084683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.084683 (E_RNA) where: Base-Base interactions energy: -28.757 where: short stacking energy: -28.757 Base-Backbone interact. energy: -0.000 local terms energy: -36.327650 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -2.927 tors. eta vs tors. theta energy: -8.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -54.061768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.061768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.061768 (E_RNA) where: Base-Base interactions energy: -20.690 where: short stacking energy: -20.690 Base-Backbone interact. energy: -0.000 local terms energy: -33.371792 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -6.112 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: 5, replica: 10 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -64.612775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.612775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.612775 (E_RNA) where: Base-Base interactions energy: -28.415 where: short stacking energy: -28.415 Base-Backbone interact. energy: -0.029 local terms energy: -36.168889 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -7.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -60.162109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.162109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.162109 (E_RNA) where: Base-Base interactions energy: -24.002 where: short stacking energy: -24.002 Base-Backbone interact. energy: -0.075 local terms energy: -36.084861 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.937 flat angles P-C4'-P energy: -6.655 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: 7, replica: 2 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -51.524924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.524924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.524924 (E_RNA) where: Base-Base interactions energy: -21.297 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.074 local terms energy: -30.154147 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -5.194 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -2.471 tors. eta vs tors. theta energy: -7.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -42.610531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.610531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.610531 (E_RNA) where: Base-Base interactions energy: -16.080 where: short stacking energy: -15.904 Base-Backbone interact. energy: -0.731 local terms energy: -25.799555 where: bonds (distance) C4'-P energy: -8.358 bonds (distance) P-C4' energy: -4.892 flat angles C4'-P-C4' energy: -5.171 flat angles P-C4'-P energy: -5.889 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -46.764412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.764412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.764412 (E_RNA) where: Base-Base interactions energy: -12.940 where: short stacking energy: -12.940 Base-Backbone interact. energy: -0.525 local terms energy: -33.299689 where: bonds (distance) C4'-P energy: -9.020 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -2.680 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: 3 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -43.867153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.867153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.867153 (E_RNA) where: Base-Base interactions energy: -16.469 where: short stacking energy: -16.469 Base-Backbone interact. energy: -0.082 local terms energy: -27.316562 where: bonds (distance) C4'-P energy: -8.296 bonds (distance) P-C4' energy: -4.395 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -4.784 tors. eta vs tors. theta energy: -2.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -70.842118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.842118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.842118 (E_RNA) where: Base-Base interactions energy: -36.523 where: short stacking energy: -26.230 Base-Backbone interact. energy: -0.014 local terms energy: -34.304580 where: bonds (distance) C4'-P energy: -5.261 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.410 flat angles P-C4'-P energy: -5.938 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -61.758643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.758643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.758643 (E_RNA) where: Base-Base interactions energy: -23.836 where: short stacking energy: -23.836 Base-Backbone interact. energy: -0.005 local terms energy: -37.918090 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.069 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -60.053055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.053055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.053055 (E_RNA) where: Base-Base interactions energy: -30.128 where: short stacking energy: -27.521 Base-Backbone interact. energy: -0.003 local terms energy: -29.922466 where: bonds (distance) C4'-P energy: -6.788 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -1.846 tors. eta vs tors. theta energy: -7.359 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: 10 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -61.827877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.827877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.827877 (E_RNA) where: Base-Base interactions energy: -27.779 where: short stacking energy: -25.802 Base-Backbone interact. energy: -0.001 local terms energy: -34.047657 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -4.579 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -8.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -49.553437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.553437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.553437 (E_RNA) where: Base-Base interactions energy: -21.453 where: short stacking energy: -17.043 Base-Backbone interact. energy: -0.021 local terms energy: -28.079057 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -6.348 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -53.339585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.339585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.339585 (E_RNA) where: Base-Base interactions energy: -25.414 where: short stacking energy: -25.414 Base-Backbone interact. energy: -0.002 local terms energy: -27.923248 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.008 flat angles P-C4'-P energy: -4.985 tors. eta vs tors. theta energy: -2.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -45.913034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.913034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.913034 (E_RNA) where: Base-Base interactions energy: -21.150 where: short stacking energy: -20.490 Base-Backbone interact. energy: -0.004 local terms energy: -24.758852 where: bonds (distance) C4'-P energy: -4.331 bonds (distance) P-C4' energy: -3.903 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.031 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: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -50.226366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.226366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.226366 (E_RNA) where: Base-Base interactions energy: -23.009 where: short stacking energy: -10.316 Base-Backbone interact. energy: -0.001 local terms energy: -27.216271 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -5.380 flat angles C4'-P-C4' energy: -6.746 flat angles P-C4'-P energy: -3.907 tors. eta vs tors. theta energy: -4.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -42.365047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.365047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.365047 (E_RNA) where: Base-Base interactions energy: -12.565 where: short stacking energy: -7.464 Base-Backbone interact. energy: -0.110 local terms energy: -29.689997 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -4.507 tors. eta vs tors. theta energy: -1.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -42.292683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.292683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.292683 (E_RNA) where: Base-Base interactions energy: -16.906 where: short stacking energy: -16.850 Base-Backbone interact. energy: -0.022 local terms energy: -25.364176 where: bonds (distance) C4'-P energy: -3.788 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.359 flat angles P-C4'-P energy: -4.197 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: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -57.356070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.356070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.356070 (E_RNA) where: Base-Base interactions energy: -21.338 where: short stacking energy: -21.006 Base-Backbone interact. energy: -0.002 local terms energy: -36.015916 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.413 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -5.033 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: 7 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -73.876573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.876573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.876573 (E_RNA) where: Base-Base interactions energy: -36.816 where: short stacking energy: -16.910 Base-Backbone interact. energy: -0.098 local terms energy: -36.962109 where: bonds (distance) C4'-P energy: -6.806 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -7.212 tors. eta vs tors. theta energy: -5.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -63.827701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.827701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.827701 (E_RNA) where: Base-Base interactions energy: -28.401 where: short stacking energy: -28.401 Base-Backbone interact. energy: -0.000 local terms energy: -35.426150 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -6.143 tors. eta vs tors. theta energy: -7.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -52.652317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.652317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.652317 (E_RNA) where: Base-Base interactions energy: -24.588 where: short stacking energy: -24.588 Base-Backbone interact. energy: -0.022 local terms energy: -28.041588 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -5.026 flat angles C4'-P-C4' energy: -8.674 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -62.497706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.497706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.497706 (E_RNA) where: Base-Base interactions energy: -27.288 where: short stacking energy: -27.288 Base-Backbone interact. energy: -0.000 local terms energy: -35.209053 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.224 flat angles C4'-P-C4' energy: -7.675 flat angles P-C4'-P energy: -5.391 tors. eta vs tors. theta energy: -7.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -51.608416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.608416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.608416 (E_RNA) where: Base-Base interactions energy: -22.169 where: short stacking energy: -22.169 Base-Backbone interact. energy: -0.014 local terms energy: -29.425253 where: bonds (distance) C4'-P energy: -4.897 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -5.811 tors. eta vs tors. theta energy: -3.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -56.984449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.984449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.984449 (E_RNA) where: Base-Base interactions energy: -30.562 where: short stacking energy: -20.396 Base-Backbone interact. energy: -0.002 local terms energy: -26.420550 where: bonds (distance) C4'-P energy: -7.461 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.925 flat angles P-C4'-P energy: -4.746 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: 8, replica: 9 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -44.868957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.868957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.868957 (E_RNA) where: Base-Base interactions energy: -16.371 where: short stacking energy: -16.371 Base-Backbone interact. energy: -0.001 local terms energy: -28.497500 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.958 flat angles P-C4'-P energy: -3.489 tors. eta vs tors. theta energy: -3.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -45.681726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.681726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.681726 (E_RNA) where: Base-Base interactions energy: -12.978 where: short stacking energy: -12.978 Base-Backbone interact. energy: -0.011 local terms energy: -32.692820 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.428 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -1.965 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: 1 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -42.458187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.458187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.458187 (E_RNA) where: Base-Base interactions energy: -15.600 where: short stacking energy: -15.335 Base-Backbone interact. energy: -0.003 local terms energy: -26.854522 where: bonds (distance) C4'-P energy: -3.597 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -3.275 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: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -64.185600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.185600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.185600 (E_RNA) where: Base-Base interactions energy: -28.437 where: short stacking energy: -23.605 Base-Backbone interact. energy: -0.003 local terms energy: -35.745409 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -6.525 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: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -62.160931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.160931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.160931 (E_RNA) where: Base-Base interactions energy: -30.159 where: short stacking energy: -25.978 Base-Backbone interact. energy: -0.000 local terms energy: -32.001486 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -6.783 flat angles C4'-P-C4' energy: -8.737 flat angles P-C4'-P energy: -5.643 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: 3, replica: 7 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -65.523180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.523180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.523180 (E_RNA) where: Base-Base interactions energy: -30.618 where: short stacking energy: -22.535 Base-Backbone interact. energy: -0.718 local terms energy: -34.186700 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.480 flat angles P-C4'-P energy: -3.359 tors. eta vs tors. theta energy: -5.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -50.463403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.463403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.463403 (E_RNA) where: Base-Base interactions energy: -20.415 where: short stacking energy: -20.415 Base-Backbone interact. energy: 0.277 local terms energy: -30.324723 where: bonds (distance) C4'-P energy: -6.010 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.193 flat angles P-C4'-P energy: -5.658 tors. eta vs tors. theta energy: -3.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -56.599342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.599342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.599342 (E_RNA) where: Base-Base interactions energy: -23.769 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.002 local terms energy: -32.827851 where: bonds (distance) C4'-P energy: -4.875 bonds (distance) P-C4' energy: -6.938 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -5.247 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: 6, replica: 5 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -51.055763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.055763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.055763 (E_RNA) where: Base-Base interactions energy: -17.636 where: short stacking energy: -17.636 Base-Backbone interact. energy: -0.001 local terms energy: -33.418964 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.792 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -3.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -51.905170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.905170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.905170 (E_RNA) where: Base-Base interactions energy: -17.570 where: short stacking energy: -16.437 Base-Backbone interact. energy: -0.004 local terms energy: -34.330755 where: bonds (distance) C4'-P energy: -6.951 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.692 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: 8, replica: 3 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -55.604069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.604069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.604069 (E_RNA) where: Base-Base interactions energy: -29.250 where: short stacking energy: -15.198 Base-Backbone interact. energy: -0.099 local terms energy: -26.255972 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -5.655 flat angles P-C4'-P energy: -3.404 tors. eta vs tors. theta energy: -3.634 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: 9 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -42.226294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.226294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.226294 (E_RNA) where: Base-Base interactions energy: -16.450 where: short stacking energy: -16.450 Base-Backbone interact. energy: -0.000 local terms energy: -25.775520 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.675 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -0.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -41.522963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.522963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.522963 (E_RNA) where: Base-Base interactions energy: -18.074 where: short stacking energy: -17.727 Base-Backbone interact. energy: -0.022 local terms energy: -23.427152 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -1.205 tors. eta vs tors. theta energy: -1.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -76.954329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.954329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.954329 (E_RNA) where: Base-Base interactions energy: -46.947 where: short stacking energy: -25.228 Base-Backbone interact. energy: -0.001 local terms energy: -30.006817 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -4.960 flat angles C4'-P-C4' energy: -7.601 flat angles P-C4'-P energy: -5.257 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: 2, replica: 10 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -65.722010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.722010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.722010 (E_RNA) where: Base-Base interactions energy: -30.875 where: short stacking energy: -30.576 Base-Backbone interact. energy: -0.000 local terms energy: -34.847353 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.642 flat angles P-C4'-P energy: -2.690 tors. eta vs tors. theta energy: -9.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -55.507705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.507705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.507705 (E_RNA) where: Base-Base interactions energy: -22.937 where: short stacking energy: -22.937 Base-Backbone interact. energy: -0.000 local terms energy: -32.570015 where: bonds (distance) C4'-P energy: -7.493 bonds (distance) P-C4' energy: -6.808 flat angles C4'-P-C4' energy: -8.524 flat angles P-C4'-P energy: -6.103 tors. eta vs tors. theta energy: -3.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -68.124211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.124211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.124211 (E_RNA) where: Base-Base interactions energy: -27.810 where: short stacking energy: -27.810 Base-Backbone interact. energy: -0.000 local terms energy: -40.314339 where: bonds (distance) C4'-P energy: -7.869 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -9.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -52.484212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.484212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.484212 (E_RNA) where: Base-Base interactions energy: -23.823 where: short stacking energy: -17.020 Base-Backbone interact. energy: -0.052 local terms energy: -28.609434 where: bonds (distance) C4'-P energy: -5.738 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -49.152544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.152544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.152544 (E_RNA) where: Base-Base interactions energy: -19.746 where: short stacking energy: -19.746 Base-Backbone interact. energy: -0.001 local terms energy: -29.405167 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.668 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -46.546202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.546202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.546202 (E_RNA) where: Base-Base interactions energy: -19.690 where: short stacking energy: -12.156 Base-Backbone interact. energy: -0.034 local terms energy: -26.822602 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -8.079 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: 0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -49.190390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.190390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.190390 (E_RNA) where: Base-Base interactions energy: -21.594 where: short stacking energy: -21.100 Base-Backbone interact. energy: -0.008 local terms energy: -27.589002 where: bonds (distance) C4'-P energy: -3.315 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -6.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -50.342863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.342863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.342863 (E_RNA) where: Base-Base interactions energy: -18.731 where: short stacking energy: -18.731 Base-Backbone interact. energy: -0.100 local terms energy: -31.512532 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -3.308 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -41.627644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.627644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.627644 (E_RNA) where: Base-Base interactions energy: -15.547 where: short stacking energy: -11.732 Base-Backbone interact. energy: -0.020 local terms energy: -26.060485 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.132 flat angles P-C4'-P energy: -1.467 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: 1, replica: 4 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -72.137551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.137551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.137551 (E_RNA) where: Base-Base interactions energy: -33.725 where: short stacking energy: -32.850 Base-Backbone interact. energy: -0.000 local terms energy: -38.412936 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -8.094 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -62.156815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.156815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.156815 (E_RNA) where: Base-Base interactions energy: -25.054 where: short stacking energy: -25.054 Base-Backbone interact. energy: -0.000 local terms energy: -37.101989 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.574 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -8.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -67.249153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.249153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.249153 (E_RNA) where: Base-Base interactions energy: -29.771 where: short stacking energy: -25.334 Base-Backbone interact. energy: -0.143 local terms energy: -37.334909 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.826 flat angles P-C4'-P energy: -4.242 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -55.846094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.846094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.846094 (E_RNA) where: Base-Base interactions energy: -28.237 where: short stacking energy: -19.851 Base-Backbone interact. energy: -0.002 local terms energy: -27.607005 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -6.419 flat angles C4'-P-C4' energy: -3.753 flat angles P-C4'-P energy: -4.317 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -57.674926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.674926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.674926 (E_RNA) where: Base-Base interactions energy: -25.126 where: short stacking energy: -23.291 Base-Backbone interact. energy: -0.001 local terms energy: -32.547693 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.009 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: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -53.958417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.958417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.958417 (E_RNA) where: Base-Base interactions energy: -21.609 where: short stacking energy: -21.609 Base-Backbone interact. energy: -0.000 local terms energy: -32.349132 where: bonds (distance) C4'-P energy: -7.187 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.681 flat angles P-C4'-P energy: -6.113 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: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -59.133718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.133718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.133718 (E_RNA) where: Base-Base interactions energy: -32.829 where: short stacking energy: -22.555 Base-Backbone interact. energy: -0.003 local terms energy: -26.301455 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -3.668 flat angles P-C4'-P energy: -2.604 tors. eta vs tors. theta energy: -5.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -54.121903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.121903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.121903 (E_RNA) where: Base-Base interactions energy: -28.124 where: short stacking energy: -10.397 Base-Backbone interact. energy: 0.395 local terms energy: -26.392430 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -4.216 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: 9, replica: 8 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -39.672021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.672021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.672021 (E_RNA) where: Base-Base interactions energy: -18.118 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.079 local terms energy: -21.475461 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -4.654 flat angles P-C4'-P energy: -2.518 tors. eta vs tors. theta energy: -1.586 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: 283 Temperature: 1.350000 Total energy: -46.269596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.269596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.269596 (E_RNA) where: Base-Base interactions energy: -15.926 where: short stacking energy: -15.926 Base-Backbone interact. energy: -0.000 local terms energy: -30.343586 where: bonds (distance) C4'-P energy: -6.317 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.061 flat angles P-C4'-P energy: -5.832 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -61.088844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.088844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.088844 (E_RNA) where: Base-Base interactions energy: -25.297 where: short stacking energy: -25.297 Base-Backbone interact. energy: -0.000 local terms energy: -35.791729 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.298 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -5.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -54.212670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.212670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.212670 (E_RNA) where: Base-Base interactions energy: -21.234 where: short stacking energy: -20.705 Base-Backbone interact. energy: -0.092 local terms energy: -32.887113 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.951 flat angles P-C4'-P energy: -5.142 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: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -62.838749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.838749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.838749 (E_RNA) where: Base-Base interactions energy: -30.084 where: short stacking energy: -24.599 Base-Backbone interact. energy: -0.000 local terms energy: -32.754093 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -4.822 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -72.348113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.348113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.348113 (E_RNA) where: Base-Base interactions energy: -35.550 where: short stacking energy: -24.826 Base-Backbone interact. energy: -0.000 local terms energy: -36.797896 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.596 flat angles P-C4'-P energy: -5.565 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -55.464484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.464484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.464484 (E_RNA) where: Base-Base interactions energy: -18.428 where: short stacking energy: -18.428 Base-Backbone interact. energy: -0.088 local terms energy: -36.948085 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.836 flat angles P-C4'-P energy: -7.063 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: 6, replica: 7 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -48.750404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.750404 (E_RNA) where: Base-Base interactions energy: -16.776 where: short stacking energy: -16.776 Base-Backbone interact. energy: -0.042 local terms energy: -31.932640 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -4.107 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -64.988358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.988358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.988358 (E_RNA) where: Base-Base interactions energy: -25.309 where: short stacking energy: -25.309 Base-Backbone interact. energy: -0.009 local terms energy: -39.669999 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.021 flat angles P-C4'-P energy: -5.620 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: 8, replica: 6 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -47.668522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.668522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.668522 (E_RNA) where: Base-Base interactions energy: -26.142 where: short stacking energy: -14.990 Base-Backbone interact. energy: -0.068 local terms energy: -21.458232 where: bonds (distance) C4'-P energy: -4.060 bonds (distance) P-C4' energy: -6.854 flat angles C4'-P-C4' energy: -6.070 flat angles P-C4'-P energy: -3.727 tors. eta vs tors. theta energy: -0.747 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: 9 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -43.260437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.260437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.260437 (E_RNA) where: Base-Base interactions energy: -18.618 where: short stacking energy: -18.618 Base-Backbone interact. energy: -0.099 local terms energy: -24.543497 where: bonds (distance) C4'-P energy: -5.262 bonds (distance) P-C4' energy: -4.232 flat angles C4'-P-C4' energy: -7.020 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -3.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -41.218557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.218557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.218557 (E_RNA) where: Base-Base interactions energy: -12.023 where: short stacking energy: -12.023 Base-Backbone interact. energy: -0.117 local terms energy: -29.077934 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.765 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -61.670640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.670640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.670640 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -28.758 Base-Backbone interact. energy: -0.004 local terms energy: -32.908576 where: bonds (distance) C4'-P energy: -4.959 bonds (distance) P-C4' energy: -7.811 flat angles C4'-P-C4' energy: -7.855 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -78.286012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.286012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.286012 (E_RNA) where: Base-Base interactions energy: -41.713 where: short stacking energy: -27.951 Base-Backbone interact. energy: -0.004 local terms energy: -36.569152 where: bonds (distance) C4'-P energy: -7.236 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -5.966 tors. eta vs tors. theta energy: -5.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -58.737995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.737995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.737995 (E_RNA) where: Base-Base interactions energy: -25.445 where: short stacking energy: -25.445 Base-Backbone interact. energy: -0.085 local terms energy: -33.208824 where: bonds (distance) C4'-P energy: -5.199 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.954 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -6.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -56.068661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.068661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.068661 (E_RNA) where: Base-Base interactions energy: -20.619 where: short stacking energy: -19.614 Base-Backbone interact. energy: -0.000 local terms energy: -35.449723 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -6.863 flat angles P-C4'-P energy: -6.643 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -50.587216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.587216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.587216 (E_RNA) where: Base-Base interactions energy: -23.755 where: short stacking energy: -18.537 Base-Backbone interact. energy: -0.788 local terms energy: -26.044765 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.648 flat angles P-C4'-P energy: -1.809 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: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -51.041621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.041621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.041621 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -13.395 Base-Backbone interact. energy: -0.001 local terms energy: -27.929419 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -3.436 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: 7, replica: 7 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -48.868771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.868771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.868771 (E_RNA) where: Base-Base interactions energy: -20.184 where: short stacking energy: -20.184 Base-Backbone interact. energy: -0.093 local terms energy: -28.592445 where: bonds (distance) C4'-P energy: -6.445 bonds (distance) P-C4' energy: -7.060 flat angles C4'-P-C4' energy: -6.187 flat angles P-C4'-P energy: -4.159 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: 8, replica: 6 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -53.755121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.755121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.755121 (E_RNA) where: Base-Base interactions energy: -22.543 where: short stacking energy: -22.543 Base-Backbone interact. energy: -0.002 local terms energy: -31.210189 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -7.978 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -5.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -40.761674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.761674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.761674 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.008 local terms energy: -22.372016 where: bonds (distance) C4'-P energy: -6.202 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -2.529 flat angles P-C4'-P energy: -1.738 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -41.855900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.855900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.855900 (E_RNA) where: Base-Base interactions energy: -8.954 where: short stacking energy: -8.954 Base-Backbone interact. energy: -0.000 local terms energy: -32.901987 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.407 flat angles P-C4'-P energy: -6.057 tors. eta vs tors. theta energy: -4.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -84.914403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.914403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.914403 (E_RNA) where: Base-Base interactions energy: -51.166 where: short stacking energy: -32.635 Base-Backbone interact. energy: -0.007 local terms energy: -33.742288 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -7.153 flat angles C4'-P-C4' energy: -7.412 flat angles P-C4'-P energy: -5.050 tors. eta vs tors. theta energy: -7.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -66.227625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.227625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.227625 (E_RNA) where: Base-Base interactions energy: -28.531 where: short stacking energy: -28.531 Base-Backbone interact. energy: -0.000 local terms energy: -37.695965 where: bonds (distance) C4'-P energy: -5.556 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.120 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -8.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -57.889558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.889558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.889558 (E_RNA) where: Base-Base interactions energy: -24.055 where: short stacking energy: -24.055 Base-Backbone interact. energy: -0.000 local terms energy: -33.833731 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -4.885 tors. eta vs tors. theta energy: -5.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -55.556424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.556424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.556424 (E_RNA) where: Base-Base interactions energy: -18.088 where: short stacking energy: -18.088 Base-Backbone interact. energy: -0.021 local terms energy: -37.447183 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -9.013 flat angles P-C4'-P energy: -5.974 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: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -47.521867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.521867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.521867 (E_RNA) where: Base-Base interactions energy: -20.873 where: short stacking energy: -12.821 Base-Backbone interact. energy: -0.035 local terms energy: -26.614428 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.923 flat angles P-C4'-P energy: -5.916 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: 6, replica: 2 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -53.216840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.216840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.216840 (E_RNA) where: Base-Base interactions energy: -26.894 where: short stacking energy: -17.155 Base-Backbone interact. energy: -0.107 local terms energy: -26.216603 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -6.818 flat angles C4'-P-C4' energy: -9.362 flat angles P-C4'-P energy: -3.279 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: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -48.184990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.184990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.184990 (E_RNA) where: Base-Base interactions energy: -20.263 where: short stacking energy: -20.263 Base-Backbone interact. energy: -0.000 local terms energy: -27.921366 where: bonds (distance) C4'-P energy: -5.335 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -4.455 flat angles P-C4'-P energy: -3.103 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: 8, replica: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -40.195637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.195637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.195637 (E_RNA) where: Base-Base interactions energy: -13.563 where: short stacking energy: -13.563 Base-Backbone interact. energy: -0.096 local terms energy: -26.536954 where: bonds (distance) C4'-P energy: -6.370 bonds (distance) P-C4' energy: -7.248 flat angles C4'-P-C4' energy: -5.157 flat angles P-C4'-P energy: -5.252 tors. eta vs tors. theta energy: -2.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -40.927265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.927265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.927265 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -11.708 Base-Backbone interact. energy: -0.000 local terms energy: -29.218792 where: bonds (distance) C4'-P energy: -4.499 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.765 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: 10, replica: 9 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -48.039231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.039231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.039231 (E_RNA) where: Base-Base interactions energy: -16.082 where: short stacking energy: -16.082 Base-Backbone interact. energy: -0.019 local terms energy: -31.938306 where: bonds (distance) C4'-P energy: -5.246 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -6.340 flat angles P-C4'-P energy: -5.895 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: 1, replica: 10 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -83.619364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.619364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.619364 (E_RNA) where: Base-Base interactions energy: -52.736 where: short stacking energy: -32.780 Base-Backbone interact. energy: -0.012 local terms energy: -30.871517 where: bonds (distance) C4'-P energy: -6.911 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -5.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -61.144025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.144025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.144025 (E_RNA) where: Base-Base interactions energy: -28.653 where: short stacking energy: -25.109 Base-Backbone interact. energy: -0.066 local terms energy: -32.424107 where: bonds (distance) C4'-P energy: -8.673 bonds (distance) P-C4' energy: -6.101 flat angles C4'-P-C4' energy: -6.517 flat angles P-C4'-P energy: -3.793 tors. eta vs tors. theta energy: -7.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -59.379688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.379688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.379688 (E_RNA) where: Base-Base interactions energy: -26.171 where: short stacking energy: -22.021 Base-Backbone interact. energy: -0.087 local terms energy: -33.122532 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -4.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -55.252329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.252329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.252329 (E_RNA) where: Base-Base interactions energy: -20.206 where: short stacking energy: -20.206 Base-Backbone interact. energy: -0.019 local terms energy: -35.028225 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.995 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -45.147390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.147390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.147390 (E_RNA) where: Base-Base interactions energy: -15.738 where: short stacking energy: -9.193 Base-Backbone interact. energy: -0.104 local terms energy: -29.305700 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.033 flat angles P-C4'-P energy: -7.057 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: 6, replica: 6 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -51.867011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.867011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.867011 (E_RNA) where: Base-Base interactions energy: -27.128 where: short stacking energy: -17.632 Base-Backbone interact. energy: -0.055 local terms energy: -24.683788 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -3.653 tors. eta vs tors. theta energy: -1.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -45.244270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.244270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.244270 (E_RNA) where: Base-Base interactions energy: -14.964 where: short stacking energy: -14.964 Base-Backbone interact. energy: -0.018 local terms energy: -30.262352 where: bonds (distance) C4'-P energy: -4.752 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.127 flat angles P-C4'-P energy: -6.001 tors. eta vs tors. theta energy: -1.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -45.190474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.190474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.190474 (E_RNA) where: Base-Base interactions energy: -15.290 where: short stacking energy: -15.290 Base-Backbone interact. energy: -0.140 local terms energy: -29.760522 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -7.548 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -1.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -40.090035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.090035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.090035 (E_RNA) where: Base-Base interactions energy: -13.557 where: short stacking energy: -6.618 Base-Backbone interact. energy: -0.253 local terms energy: -26.279561 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.172 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: 10, replica: 9 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -46.715057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.715057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.715057 (E_RNA) where: Base-Base interactions energy: -16.484 where: short stacking energy: -16.484 Base-Backbone interact. energy: -0.004 local terms energy: -30.227294 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.454 flat angles P-C4'-P energy: -6.797 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: 1, replica: 3 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -69.378003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.378003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.378003 (E_RNA) where: Base-Base interactions energy: -33.015 where: short stacking energy: -26.385 Base-Backbone interact. energy: -0.082 local terms energy: -36.281144 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.874 flat angles P-C4'-P energy: -6.595 tors. eta vs tors. theta energy: -5.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -78.622160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.622160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.622160 (E_RNA) where: Base-Base interactions energy: -47.052 where: short stacking energy: -22.503 Base-Backbone interact. energy: -0.107 local terms energy: -31.462824 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -6.502 flat angles C4'-P-C4' energy: -6.245 flat angles P-C4'-P energy: -5.008 tors. eta vs tors. theta energy: -5.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -59.374490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.374490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.374490 (E_RNA) where: Base-Base interactions energy: -25.232 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.047 local terms energy: -34.095893 where: bonds (distance) C4'-P energy: -8.200 bonds (distance) P-C4' energy: -7.882 flat angles C4'-P-C4' energy: -8.849 flat angles P-C4'-P energy: -3.814 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -63.608564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.608564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.608564 (E_RNA) where: Base-Base interactions energy: -27.931 where: short stacking energy: -25.362 Base-Backbone interact. energy: -0.112 local terms energy: -35.565458 where: bonds (distance) C4'-P energy: -8.581 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.731 flat angles P-C4'-P energy: -3.554 tors. eta vs tors. theta energy: -6.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -53.240127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.240127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.240127 (E_RNA) where: Base-Base interactions energy: -25.254 where: short stacking energy: -9.117 Base-Backbone interact. energy: -0.002 local terms energy: -27.984180 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -6.120 flat angles P-C4'-P energy: -4.228 tors. eta vs tors. theta energy: -1.479 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: 5 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -60.046015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.046015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.046015 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -22.640 Base-Backbone interact. energy: -0.098 local terms energy: -37.308337 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -7.409 tors. eta vs tors. theta energy: -5.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -46.953919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.953919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.953919 (E_RNA) where: Base-Base interactions energy: -15.343 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.004 local terms energy: -31.607599 where: bonds (distance) C4'-P energy: -5.746 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -4.684 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: 2 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -50.089513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.089513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.089513 (E_RNA) where: Base-Base interactions energy: -18.788 where: short stacking energy: -18.788 Base-Backbone interact. energy: -0.059 local terms energy: -31.242250 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -6.628 flat angles P-C4'-P energy: -1.723 tors. eta vs tors. theta energy: -7.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -46.291626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.291626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.291626 (E_RNA) where: Base-Base interactions energy: -20.863 where: short stacking energy: -19.349 Base-Backbone interact. energy: -0.088 local terms energy: -25.340247 where: bonds (distance) C4'-P energy: -4.736 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: 0.284 tors. eta vs tors. theta energy: -4.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -38.716161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.716161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.716161 (E_RNA) where: Base-Base interactions energy: -15.436 where: short stacking energy: -15.436 Base-Backbone interact. energy: -0.099 local terms energy: -23.181732 where: bonds (distance) C4'-P energy: -4.888 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -2.391 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -82.377624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.377624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.377624 (E_RNA) where: Base-Base interactions energy: -49.681 where: short stacking energy: -24.637 Base-Backbone interact. energy: 0.194 local terms energy: -32.890263 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.247 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -75.184815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.184815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.184815 (E_RNA) where: Base-Base interactions energy: -43.382 where: short stacking energy: -25.609 Base-Backbone interact. energy: -0.006 local terms energy: -31.796286 where: bonds (distance) C4'-P energy: -7.394 bonds (distance) P-C4' energy: -6.488 flat angles C4'-P-C4' energy: -8.067 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -4.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -57.793295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.793295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.793295 (E_RNA) where: Base-Base interactions energy: -24.611 where: short stacking energy: -17.057 Base-Backbone interact. energy: -0.071 local terms energy: -33.111524 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -6.539 tors. eta vs tors. theta energy: -1.493 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: 289 Temperature: 1.050000 Total energy: -64.753294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.753294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.753294 (E_RNA) where: Base-Base interactions energy: -27.013 where: short stacking energy: -21.988 Base-Backbone interact. energy: -0.000 local terms energy: -37.739987 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.499 flat angles P-C4'-P energy: -5.231 tors. eta vs tors. theta energy: -6.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -57.261072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.261072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.261072 (E_RNA) where: Base-Base interactions energy: -28.028 where: short stacking energy: -24.450 Base-Backbone interact. energy: -0.002 local terms energy: -29.231186 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -5.231 flat angles C4'-P-C4' energy: -5.217 flat angles P-C4'-P energy: -4.984 tors. eta vs tors. theta energy: -7.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -54.629139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.629139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.629139 (E_RNA) where: Base-Base interactions energy: -21.756 where: short stacking energy: -21.756 Base-Backbone interact. energy: -0.065 local terms energy: -32.808223 where: bonds (distance) C4'-P energy: -4.732 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -6.245 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -49.346325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.346325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.346325 (E_RNA) where: Base-Base interactions energy: -21.674 where: short stacking energy: -21.291 Base-Backbone interact. energy: -0.002 local terms energy: -27.670295 where: bonds (distance) C4'-P energy: -4.541 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -4.057 tors. eta vs tors. theta energy: -7.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -51.863942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.863942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.863942 (E_RNA) where: Base-Base interactions energy: -20.390 where: short stacking energy: -20.390 Base-Backbone interact. energy: -0.006 local terms energy: -31.468127 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.222 flat angles P-C4'-P energy: -5.666 tors. eta vs tors. theta energy: -3.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -52.551888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.551888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.551888 (E_RNA) where: Base-Base interactions energy: -21.501 where: short stacking energy: -21.154 Base-Backbone interact. energy: -0.002 local terms energy: -31.048296 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.019 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -5.806 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: 7 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -43.514059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.514059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.514059 (E_RNA) where: Base-Base interactions energy: -15.951 where: short stacking energy: -15.818 Base-Backbone interact. energy: -0.001 local terms energy: -27.561997 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -5.101 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -3.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -73.062868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.062868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.062868 (E_RNA) where: Base-Base interactions energy: -36.038 where: short stacking energy: -25.287 Base-Backbone interact. energy: -0.009 local terms energy: -37.016494 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.488 flat angles P-C4'-P energy: -6.501 tors. eta vs tors. theta energy: -7.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -81.939107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.939107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.939107 (E_RNA) where: Base-Base interactions energy: -45.795 where: short stacking energy: -24.508 Base-Backbone interact. energy: -0.017 local terms energy: -36.126464 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.681 flat angles P-C4'-P energy: -5.609 tors. eta vs tors. theta energy: -6.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -60.659625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.659625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.659625 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.053 local terms energy: -36.309098 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.132 flat angles C4'-P-C4' energy: -6.294 flat angles P-C4'-P energy: -6.052 tors. eta vs tors. theta energy: -8.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -61.416841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.416841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.416841 (E_RNA) where: Base-Base interactions energy: -27.442 where: short stacking energy: -27.442 Base-Backbone interact. energy: -0.000 local terms energy: -33.974415 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.210 flat angles P-C4'-P energy: -2.261 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: 290 Temperature: 1.100000 Total energy: -58.678814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.678814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.678814 (E_RNA) where: Base-Base interactions energy: -31.087 where: short stacking energy: -24.167 Base-Backbone interact. energy: -0.569 local terms energy: -27.023082 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -6.184 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -3.237 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: 6, replica: 8 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -48.530074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.530074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.530074 (E_RNA) where: Base-Base interactions energy: -19.951 where: short stacking energy: -19.951 Base-Backbone interact. energy: -0.135 local terms energy: -28.444572 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -5.082 flat angles P-C4'-P energy: -3.416 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: 7, replica: 2 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -53.449773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.449773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.449773 (E_RNA) where: Base-Base interactions energy: -17.802 where: short stacking energy: -17.802 Base-Backbone interact. energy: -0.012 local terms energy: -35.636015 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.927 flat angles P-C4'-P energy: -6.098 tors. eta vs tors. theta energy: -7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -50.648810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.648810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.648810 (E_RNA) where: Base-Base interactions energy: -20.765 where: short stacking energy: -20.765 Base-Backbone interact. energy: -0.055 local terms energy: -29.828977 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.267 flat angles P-C4'-P energy: -3.327 tors. eta vs tors. theta energy: -5.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -48.706865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.706865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.706865 (E_RNA) where: Base-Base interactions energy: -19.833 where: short stacking energy: -19.833 Base-Backbone interact. energy: -0.048 local terms energy: -28.826359 where: bonds (distance) C4'-P energy: -3.090 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.816 flat angles P-C4'-P energy: -7.158 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -44.384448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.384448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.384448 (E_RNA) where: Base-Base interactions energy: -16.787 where: short stacking energy: -16.787 Base-Backbone interact. energy: -0.036 local terms energy: -27.561832 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -5.408 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -72.764792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.764792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.764792 (E_RNA) where: Base-Base interactions energy: -35.773 where: short stacking energy: -35.773 Base-Backbone interact. energy: -0.000 local terms energy: -36.992212 where: bonds (distance) C4'-P energy: -5.476 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -5.168 tors. eta vs tors. theta energy: -11.022 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: 3 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -75.232623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.232623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.232623 (E_RNA) where: Base-Base interactions energy: -38.559 where: short stacking energy: -20.819 Base-Backbone interact. energy: -0.006 local terms energy: -36.667427 where: bonds (distance) C4'-P energy: -8.946 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -8.386 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -70.950792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.950792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.950792 (E_RNA) where: Base-Base interactions energy: -34.820 where: short stacking energy: -30.180 Base-Backbone interact. energy: -0.000 local terms energy: -36.130587 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -8.940 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -8.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -64.951188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.951188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.951188 (E_RNA) where: Base-Base interactions energy: -32.298 where: short stacking energy: -23.581 Base-Backbone interact. energy: -0.176 local terms energy: -32.477838 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -5.345 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: 5, replica: 4 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -58.604932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.604932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.604932 (E_RNA) where: Base-Base interactions energy: -24.219 where: short stacking energy: -24.219 Base-Backbone interact. energy: -0.006 local terms energy: -34.379492 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.722 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -6.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -58.174109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.174109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.174109 (E_RNA) where: Base-Base interactions energy: -28.209 where: short stacking energy: -21.297 Base-Backbone interact. energy: -0.002 local terms energy: -29.963806 where: bonds (distance) C4'-P energy: -2.868 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.980 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: 7, replica: 8 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -44.982050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.982050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.982050 (E_RNA) where: Base-Base interactions energy: -18.251 where: short stacking energy: -18.251 Base-Backbone interact. energy: -0.010 local terms energy: -26.720775 where: bonds (distance) C4'-P energy: -6.797 bonds (distance) P-C4' energy: -6.187 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -2.182 tors. eta vs tors. theta energy: -4.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -39.812572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.812572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.812572 (E_RNA) where: Base-Base interactions energy: -14.431 where: short stacking energy: -14.431 Base-Backbone interact. energy: -0.014 local terms energy: -25.367662 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.576 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: 1.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -45.205350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.205350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.205350 (E_RNA) where: Base-Base interactions energy: -18.937 where: short stacking energy: -14.507 Base-Backbone interact. energy: -0.117 local terms energy: -26.151249 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -3.518 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -1.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -39.981751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.981751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.981751 (E_RNA) where: Base-Base interactions energy: -15.891 where: short stacking energy: -15.891 Base-Backbone interact. energy: -0.006 local terms energy: -24.084246 where: bonds (distance) C4'-P energy: -5.995 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.658 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: 3 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -82.467442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.467442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.467442 (E_RNA) where: Base-Base interactions energy: -53.179 where: short stacking energy: -28.059 Base-Backbone interact. energy: -0.003 local terms energy: -29.285718 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -3.886 flat angles P-C4'-P energy: -5.741 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: 1 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -82.693400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.693400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.693400 (E_RNA) where: Base-Base interactions energy: -46.730 where: short stacking energy: -26.705 Base-Backbone interact. energy: -0.397 local terms energy: -35.566575 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -61.691867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.691867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.691867 (E_RNA) where: Base-Base interactions energy: -27.310 where: short stacking energy: -27.310 Base-Backbone interact. energy: -0.001 local terms energy: -34.380976 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -6.011 flat angles P-C4'-P energy: -6.639 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: 4, replica: 10 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -64.939486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.939486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.939486 (E_RNA) where: Base-Base interactions energy: -29.277 where: short stacking energy: -29.277 Base-Backbone interact. energy: -0.022 local terms energy: -35.639942 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -6.219 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: 5, replica: 2 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -55.594751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.594751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.594751 (E_RNA) where: Base-Base interactions energy: -21.739 where: short stacking energy: -21.739 Base-Backbone interact. energy: -0.001 local terms energy: -33.854273 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -4.829 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: 6, replica: 4 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -50.411799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.411799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.411799 (E_RNA) where: Base-Base interactions energy: -19.321 where: short stacking energy: -18.639 Base-Backbone interact. energy: -0.015 local terms energy: -31.075288 where: bonds (distance) C4'-P energy: -6.379 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.091 flat angles P-C4'-P energy: -2.839 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: 7, replica: 7 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -47.382182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.382182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.382182 (E_RNA) where: Base-Base interactions energy: -24.471 where: short stacking energy: -10.937 Base-Backbone interact. energy: -0.152 local terms energy: -22.759351 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -6.318 flat angles C4'-P-C4' energy: -6.695 flat angles P-C4'-P energy: -3.300 tors. eta vs tors. theta energy: -0.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -45.093601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.093601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.093601 (E_RNA) where: Base-Base interactions energy: -15.379 where: short stacking energy: -15.379 Base-Backbone interact. energy: -0.012 local terms energy: -29.703120 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -2.690 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: 9 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -46.988857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.988857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.988857 (E_RNA) where: Base-Base interactions energy: -20.878 where: short stacking energy: -20.878 Base-Backbone interact. energy: -0.002 local terms energy: -26.108648 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.064 flat angles P-C4'-P energy: -1.646 tors. eta vs tors. theta energy: -3.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -40.197220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.197220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.197220 (E_RNA) where: Base-Base interactions energy: -13.035 where: short stacking energy: -13.035 Base-Backbone interact. energy: -0.000 local terms energy: -27.162314 where: bonds (distance) C4'-P energy: -4.035 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.324 flat angles P-C4'-P energy: -5.839 tors. eta vs tors. theta energy: -2.844 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: 1, replica: 3 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -74.985603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.985603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.985603 (E_RNA) where: Base-Base interactions energy: -45.561 where: short stacking energy: -16.818 Base-Backbone interact. energy: -0.114 local terms energy: -29.310667 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -1.670 tors. eta vs tors. theta energy: -2.288 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: 1 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -78.818690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.818690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.818690 (E_RNA) where: Base-Base interactions energy: -43.479 where: short stacking energy: -29.383 Base-Backbone interact. energy: -0.000 local terms energy: -35.339409 where: bonds (distance) C4'-P energy: -6.710 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -8.252 flat angles P-C4'-P energy: -4.419 tors. eta vs tors. theta energy: -7.779 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: 6 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -57.835590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.835590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.835590 (E_RNA) where: Base-Base interactions energy: -26.026 where: short stacking energy: -13.461 Base-Backbone interact. energy: -0.008 local terms energy: -31.801816 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -5.092 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: 4, replica: 2 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -60.094209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.094209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.094209 (E_RNA) where: Base-Base interactions energy: -25.612 where: short stacking energy: -20.724 Base-Backbone interact. energy: 0.700 local terms energy: -35.182768 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.525 flat angles P-C4'-P energy: -2.286 tors. eta vs tors. theta energy: -9.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -66.055348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.055348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.055348 (E_RNA) where: Base-Base interactions energy: -27.517 where: short stacking energy: -27.517 Base-Backbone interact. energy: -0.000 local terms energy: -38.538726 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -9.225 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -9.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -55.485162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.485162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.485162 (E_RNA) where: Base-Base interactions energy: -27.344 where: short stacking energy: -17.586 Base-Backbone interact. energy: -0.034 local terms energy: -28.107224 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -5.645 flat angles P-C4'-P energy: -3.889 tors. eta vs tors. theta energy: -4.109 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: 4 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -57.436991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.436991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.436991 (E_RNA) where: Base-Base interactions energy: -22.720 where: short stacking energy: -13.219 Base-Backbone interact. energy: -0.024 local terms energy: -34.693089 where: bonds (distance) C4'-P energy: -6.016 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -9.214 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -6.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -49.147748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.147748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.147748 (E_RNA) where: Base-Base interactions energy: -17.846 where: short stacking energy: -17.846 Base-Backbone interact. energy: -0.003 local terms energy: -31.298907 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -5.833 flat angles P-C4'-P energy: -5.633 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: 9, replica: 8 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -42.983268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.983268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.983268 (E_RNA) where: Base-Base interactions energy: -17.870 where: short stacking energy: -17.400 Base-Backbone interact. energy: 0.588 local terms energy: -25.701566 where: bonds (distance) C4'-P energy: -1.996 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -5.287 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: 10, replica: 5 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -47.797450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.797450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.797450 (E_RNA) where: Base-Base interactions energy: -21.254 where: short stacking energy: -21.254 Base-Backbone interact. energy: -0.000 local terms energy: -26.543203 where: bonds (distance) C4'-P energy: -2.823 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.122 tors. eta vs tors. theta energy: -6.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -78.634031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.634031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.634031 (E_RNA) where: Base-Base interactions energy: -42.145 where: short stacking energy: -27.803 Base-Backbone interact. energy: -0.014 local terms energy: -36.475145 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -7.152 flat angles P-C4'-P energy: -5.647 tors. eta vs tors. theta energy: -6.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -79.807591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.807591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.807591 (E_RNA) where: Base-Base interactions energy: -47.107 where: short stacking energy: -20.656 Base-Backbone interact. energy: -0.053 local terms energy: -32.647066 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -6.787 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -74.176905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.176905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.176905 (E_RNA) where: Base-Base interactions energy: -42.854 where: short stacking energy: -30.015 Base-Backbone interact. energy: -0.000 local terms energy: -31.323045 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -5.707 flat angles P-C4'-P energy: -5.570 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: 2 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -47.778940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.778940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.778940 (E_RNA) where: Base-Base interactions energy: -20.306 where: short stacking energy: -17.355 Base-Backbone interact. energy: -0.447 local terms energy: -27.026613 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.589 flat angles P-C4'-P energy: -4.395 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: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -46.951766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.951766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.951766 (E_RNA) where: Base-Base interactions energy: -15.344 where: short stacking energy: -15.344 Base-Backbone interact. energy: -0.005 local terms energy: -31.603210 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -8.001 flat angles P-C4'-P energy: -3.390 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: 6, replica: 10 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -43.584601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.584601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.584601 (E_RNA) where: Base-Base interactions energy: -14.849 where: short stacking energy: -14.849 Base-Backbone interact. energy: -0.002 local terms energy: -28.733282 where: bonds (distance) C4'-P energy: -7.606 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.984 flat angles P-C4'-P energy: -5.653 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: 7, replica: 4 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -50.150548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.150548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.150548 (E_RNA) where: Base-Base interactions energy: -23.988 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.168 local terms energy: -25.994641 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.265 flat angles C4'-P-C4' energy: -2.001 flat angles P-C4'-P energy: -5.489 tors. eta vs tors. theta energy: -6.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -42.515715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.515715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.515715 (E_RNA) where: Base-Base interactions energy: -16.726 where: short stacking energy: -16.726 Base-Backbone interact. energy: -0.012 local terms energy: -25.777221 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -50.653008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.653008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.653008 (E_RNA) where: Base-Base interactions energy: -24.388 where: short stacking energy: -17.695 Base-Backbone interact. energy: -0.521 local terms energy: -25.743996 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -34.593930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -34.593930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -34.593930 (E_RNA) where: Base-Base interactions energy: -9.073 where: short stacking energy: -9.073 Base-Backbone interact. energy: -0.023 local terms energy: -25.498043 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.713 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: 295 Temperature: 0.900000 Total energy: -77.243635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.243635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.243635 (E_RNA) where: Base-Base interactions energy: -42.273 where: short stacking energy: -25.421 Base-Backbone interact. energy: -2.789 local terms energy: -32.181630 where: bonds (distance) C4'-P energy: -5.642 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -7.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -67.130920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.130920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.130920 (E_RNA) where: Base-Base interactions energy: -39.628 where: short stacking energy: -13.719 Base-Backbone interact. energy: -0.044 local terms energy: -27.459697 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.084 flat angles P-C4'-P energy: -3.271 tors. eta vs tors. theta energy: -0.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -55.587637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.587637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.587637 (E_RNA) where: Base-Base interactions energy: -24.325 where: short stacking energy: -23.668 Base-Backbone interact. energy: -0.035 local terms energy: -31.227602 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.982 flat angles P-C4'-P energy: -3.162 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: 4, replica: 7 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -57.498208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.498208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.498208 (E_RNA) where: Base-Base interactions energy: -21.683 where: short stacking energy: -21.683 Base-Backbone interact. energy: -0.000 local terms energy: -35.815118 where: bonds (distance) C4'-P energy: -8.291 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.147 flat angles P-C4'-P energy: -4.568 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: 5, replica: 2 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -52.616309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.616309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.616309 (E_RNA) where: Base-Base interactions energy: -20.117 where: short stacking energy: -20.267 Base-Backbone interact. energy: -0.001 local terms energy: -32.498177 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.603 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -52.952279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.952279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.952279 (E_RNA) where: Base-Base interactions energy: -24.000 where: short stacking energy: -16.583 Base-Backbone interact. energy: -0.000 local terms energy: -28.952155 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.251 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -43.622725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.622725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.622725 (E_RNA) where: Base-Base interactions energy: -13.365 where: short stacking energy: -13.365 Base-Backbone interact. energy: -0.094 local terms energy: -30.163959 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.966 tors. eta vs tors. theta energy: -0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -43.181780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.181780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.181780 (E_RNA) where: Base-Base interactions energy: -11.941 where: short stacking energy: -11.941 Base-Backbone interact. energy: -0.092 local terms energy: -31.148304 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -4.882 tors. eta vs tors. theta energy: -2.540 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: 9, replica: 9 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -45.536916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.536916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.536916 (E_RNA) where: Base-Base interactions energy: -21.849 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.000 local terms energy: -23.687611 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -1.793 flat angles P-C4'-P energy: -4.261 tors. eta vs tors. theta energy: -4.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -39.906485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.906485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.906485 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: 0.062 local terms energy: -25.795721 where: bonds (distance) C4'-P energy: -4.893 bonds (distance) P-C4' energy: -8.247 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -2.937 tors. eta vs tors. theta energy: -2.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -68.857994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.857994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.857994 (E_RNA) where: Base-Base interactions energy: -33.555 where: short stacking energy: -25.868 Base-Backbone interact. energy: -0.022 local terms energy: -35.281233 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -3.482 tors. eta vs tors. theta energy: -7.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -62.610469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.610469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.610469 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.000 local terms energy: -32.768289 where: bonds (distance) C4'-P energy: -7.365 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.920 flat angles P-C4'-P energy: -4.768 tors. eta vs tors. theta energy: -5.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -56.887661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.887661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.887661 (E_RNA) where: Base-Base interactions energy: -23.373 where: short stacking energy: -23.373 Base-Backbone interact. energy: -0.001 local terms energy: -33.513733 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -4.259 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: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -54.118384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.118384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.118384 (E_RNA) where: Base-Base interactions energy: -19.178 where: short stacking energy: -19.178 Base-Backbone interact. energy: -0.043 local terms energy: -34.896469 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -6.440 flat angles P-C4'-P energy: -6.454 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: 2 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -55.404238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.404238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.404238 (E_RNA) where: Base-Base interactions energy: -24.027 where: short stacking energy: -23.721 Base-Backbone interact. energy: -0.000 local terms energy: -31.377490 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -2.595 tors. eta vs tors. theta energy: -6.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -51.927791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.927791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.927791 (E_RNA) where: Base-Base interactions energy: -19.529 where: short stacking energy: -14.901 Base-Backbone interact. energy: -0.001 local terms energy: -32.397899 where: bonds (distance) C4'-P energy: -6.790 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -4.622 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -4.539 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: 10 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -55.431549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.431549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.431549 (E_RNA) where: Base-Base interactions energy: -20.959 where: short stacking energy: -20.959 Base-Backbone interact. energy: -0.000 local terms energy: -34.471762 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -6.227 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: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -45.157643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.157643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.157643 (E_RNA) where: Base-Base interactions energy: -13.934 where: short stacking energy: -13.934 Base-Backbone interact. energy: -0.198 local terms energy: -31.025489 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.037 flat angles P-C4'-P energy: -4.478 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: 9, replica: 8 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -46.575437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.575437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.575437 (E_RNA) where: Base-Base interactions energy: -19.446 where: short stacking energy: -14.666 Base-Backbone interact. energy: -0.009 local terms energy: -27.120457 where: bonds (distance) C4'-P energy: -7.339 bonds (distance) P-C4' energy: -6.640 flat angles C4'-P-C4' energy: -9.077 flat angles P-C4'-P energy: -1.939 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: 10, replica: 9 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -40.054880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.054880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.054880 (E_RNA) where: Base-Base interactions energy: -11.069 where: short stacking energy: -11.069 Base-Backbone interact. energy: -0.010 local terms energy: -28.975724 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.619 tors. eta vs tors. theta energy: 0.033 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: 1, replica: 1 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -59.284227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.284227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.284227 (E_RNA) where: Base-Base interactions energy: -24.838 where: short stacking energy: -16.063 Base-Backbone interact. energy: -0.000 local terms energy: -34.446021 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.945 flat angles P-C4'-P energy: -4.103 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: 2, replica: 7 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -54.046243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.046243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.046243 (E_RNA) where: Base-Base interactions energy: -22.963 where: short stacking energy: -22.698 Base-Backbone interact. energy: -0.000 local terms energy: -31.083026 where: bonds (distance) C4'-P energy: -4.943 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -3.908 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: 3, replica: 3 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -52.466202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.466202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.466202 (E_RNA) where: Base-Base interactions energy: -21.030 where: short stacking energy: -21.030 Base-Backbone interact. energy: 0.201 local terms energy: -31.637079 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -8.372 flat angles P-C4'-P energy: -4.690 tors. eta vs tors. theta energy: -3.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -52.370801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.370801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.370801 (E_RNA) where: Base-Base interactions energy: -22.496 where: short stacking energy: -22.496 Base-Backbone interact. energy: -0.001 local terms energy: -29.874378 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -3.754 flat angles P-C4'-P energy: -4.058 tors. eta vs tors. theta energy: -6.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -55.044152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.044152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.044152 (E_RNA) where: Base-Base interactions energy: -21.703 where: short stacking energy: -22.603 Base-Backbone interact. energy: -0.004 local terms energy: -33.337008 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.561 flat angles P-C4'-P energy: -6.050 tors. eta vs tors. theta energy: -5.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -55.960434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.960434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.960434 (E_RNA) where: Base-Base interactions energy: -25.289 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.083 local terms energy: -30.589226 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.051 flat angles P-C4'-P energy: -1.562 tors. eta vs tors. theta energy: -7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -47.237994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.237994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.237994 (E_RNA) where: Base-Base interactions energy: -17.416 where: short stacking energy: -17.416 Base-Backbone interact. energy: -0.021 local terms energy: -29.801506 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -7.070 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -2.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -44.724942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.724942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.724942 (E_RNA) where: Base-Base interactions energy: -18.283 where: short stacking energy: -11.618 Base-Backbone interact. energy: -0.137 local terms energy: -26.304948 where: bonds (distance) C4'-P energy: -5.361 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -4.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -42.474875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.474875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.474875 (E_RNA) where: Base-Base interactions energy: -14.645 where: short stacking energy: -14.645 Base-Backbone interact. energy: -0.071 local terms energy: -27.758853 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.806 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: 10, replica: 9 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -47.929412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.929412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.929412 (E_RNA) where: Base-Base interactions energy: -15.763 where: short stacking energy: -15.763 Base-Backbone interact. energy: -0.001 local terms energy: -32.165336 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.751 flat angles P-C4'-P energy: -4.566 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -63.600941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.600941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.600941 (E_RNA) where: Base-Base interactions energy: -29.058 where: short stacking energy: -29.058 Base-Backbone interact. energy: -0.003 local terms energy: -34.539377 where: bonds (distance) C4'-P energy: -7.736 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -8.263 flat angles P-C4'-P energy: -5.252 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: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -66.150824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.150824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.150824 (E_RNA) where: Base-Base interactions energy: -29.029 where: short stacking energy: -29.029 Base-Backbone interact. energy: -0.000 local terms energy: -37.121311 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -6.278 flat angles P-C4'-P energy: -4.642 tors. eta vs tors. theta energy: -9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -54.191120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.191120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.191120 (E_RNA) where: Base-Base interactions energy: -26.639 where: short stacking energy: -25.987 Base-Backbone interact. energy: -0.171 local terms energy: -27.380660 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.148 tors. eta vs tors. theta energy: -3.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -58.731553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.731553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.731553 (E_RNA) where: Base-Base interactions energy: -23.759 where: short stacking energy: -23.759 Base-Backbone interact. energy: -0.026 local terms energy: -34.946489 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -7.490 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: 5, replica: 10 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -49.346355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.346355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.346355 (E_RNA) where: Base-Base interactions energy: -19.375 where: short stacking energy: -19.375 Base-Backbone interact. energy: -0.126 local terms energy: -29.845357 where: bonds (distance) C4'-P energy: -7.037 bonds (distance) P-C4' energy: -7.081 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -5.387 tors. eta vs tors. theta energy: -5.573 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: 6 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -48.431248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.431248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.431248 (E_RNA) where: Base-Base interactions energy: -20.112 where: short stacking energy: -20.112 Base-Backbone interact. energy: -0.187 local terms energy: -28.132580 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -0.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -55.193912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.193912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.193912 (E_RNA) where: Base-Base interactions energy: -28.400 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.085 local terms energy: -26.707947 where: bonds (distance) C4'-P energy: -7.927 bonds (distance) P-C4' energy: -5.118 flat angles C4'-P-C4' energy: -6.979 flat angles P-C4'-P energy: -3.603 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: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -48.405777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.405777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.405777 (E_RNA) where: Base-Base interactions energy: -18.323 where: short stacking energy: -13.812 Base-Backbone interact. energy: -0.081 local terms energy: -30.002309 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.360 flat angles P-C4'-P energy: -6.375 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: 9 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -41.590778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.590778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.590778 (E_RNA) where: Base-Base interactions energy: -12.409 where: short stacking energy: -12.409 Base-Backbone interact. energy: -0.018 local terms energy: -29.164367 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.609 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -6.279 tors. eta vs tors. theta energy: -0.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -38.171994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.171994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.171994 (E_RNA) where: Base-Base interactions energy: -16.232 where: short stacking energy: -14.810 Base-Backbone interact. energy: 0.047 local terms energy: -21.987240 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -0.259 flat angles P-C4'-P energy: -6.146 tors. eta vs tors. theta energy: -2.081 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: 7 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -65.541955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.541955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.541955 (E_RNA) where: Base-Base interactions energy: -27.138 where: short stacking energy: -27.138 Base-Backbone interact. energy: -0.000 local terms energy: -38.403992 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.570 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -9.579 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: 1 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -72.335184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.335184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.335184 (E_RNA) where: Base-Base interactions energy: -35.512 where: short stacking energy: -35.512 Base-Backbone interact. energy: -0.000 local terms energy: -36.822879 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -4.391 tors. eta vs tors. theta energy: -9.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -58.477430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.477430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.477430 (E_RNA) where: Base-Base interactions energy: -23.784 where: short stacking energy: -23.784 Base-Backbone interact. energy: -0.004 local terms energy: -34.689379 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.785 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -60.631701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.631701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.631701 (E_RNA) where: Base-Base interactions energy: -29.549 where: short stacking energy: -29.549 Base-Backbone interact. energy: -0.000 local terms energy: -31.083074 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -5.879 flat angles C4'-P-C4' energy: -7.770 flat angles P-C4'-P energy: -1.534 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: 5, replica: 2 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -46.720901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.720901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.720901 (E_RNA) where: Base-Base interactions energy: -16.446 where: short stacking energy: -16.446 Base-Backbone interact. energy: -0.007 local terms energy: -30.267873 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.924 tors. eta vs tors. theta energy: -2.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -54.634531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.634531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.634531 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -21.604 Base-Backbone interact. energy: -0.001 local terms energy: -33.029680 where: bonds (distance) C4'-P energy: -4.178 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -9.218 flat angles P-C4'-P energy: -6.778 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: 7, replica: 6 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -54.582477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.582477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.582477 (E_RNA) where: Base-Base interactions energy: -22.599 where: short stacking energy: -22.033 Base-Backbone interact. energy: -0.033 local terms energy: -31.950604 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.313 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -5.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -44.374937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.374937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.374937 (E_RNA) where: Base-Base interactions energy: -11.318 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.094 local terms energy: -32.962784 where: bonds (distance) C4'-P energy: -7.614 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: -2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -46.556300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.556300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.556300 (E_RNA) where: Base-Base interactions energy: -17.270 where: short stacking energy: -17.263 Base-Backbone interact. energy: -0.001 local terms energy: -29.285680 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -5.303 flat angles P-C4'-P energy: -2.406 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -43.188173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.188173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.188173 (E_RNA) where: Base-Base interactions energy: -19.647 where: short stacking energy: -19.647 Base-Backbone interact. energy: -0.000 local terms energy: -23.541188 where: bonds (distance) C4'-P energy: -5.585 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -0.172 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: 1, replica: 1 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -63.027925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.027925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.027925 (E_RNA) where: Base-Base interactions energy: -27.131 where: short stacking energy: -27.131 Base-Backbone interact. energy: -0.013 local terms energy: -35.884452 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -7.113 flat angles P-C4'-P energy: -5.871 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -64.247073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.247073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.247073 (E_RNA) where: Base-Base interactions energy: -29.026 where: short stacking energy: -29.026 Base-Backbone interact. energy: -0.001 local terms energy: -35.219990 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -58.420503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.420503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.420503 (E_RNA) where: Base-Base interactions energy: -25.603 where: short stacking energy: -25.603 Base-Backbone interact. energy: -0.002 local terms energy: -32.815620 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -3.766 tors. eta vs tors. theta energy: -7.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -44.716374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.716374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.716374 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.710 Base-Backbone interact. energy: -0.031 local terms energy: -28.974846 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.327 flat angles P-C4'-P energy: -3.388 tors. eta vs tors. theta energy: -2.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -58.016577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.016577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.016577 (E_RNA) where: Base-Base interactions energy: -22.773 where: short stacking energy: -22.773 Base-Backbone interact. energy: -0.000 local terms energy: -35.243829 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.838 flat angles P-C4'-P energy: -5.569 tors. eta vs tors. theta energy: -6.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -57.093616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.093616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.093616 (E_RNA) where: Base-Base interactions energy: -24.342 where: short stacking energy: -24.342 Base-Backbone interact. energy: -0.010 local terms energy: -32.741718 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -5.337 flat angles P-C4'-P energy: -5.029 tors. eta vs tors. theta energy: -7.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -46.696700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.696700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.696700 (E_RNA) where: Base-Base interactions energy: -19.023 where: short stacking energy: -19.023 Base-Backbone interact. energy: -0.003 local terms energy: -27.670954 where: bonds (distance) C4'-P energy: -4.704 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.333 flat angles P-C4'-P energy: -3.610 tors. eta vs tors. theta energy: -1.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -46.325600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.325600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.325600 (E_RNA) where: Base-Base interactions energy: -19.001 where: short stacking energy: -8.916 Base-Backbone interact. energy: -0.882 local terms energy: -26.442622 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -6.827 flat angles P-C4'-P energy: -6.239 tors. eta vs tors. theta energy: 1.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -40.980090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.980090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.980090 (E_RNA) where: Base-Base interactions energy: -12.866 where: short stacking energy: -12.866 Base-Backbone interact. energy: 0.418 local terms energy: -28.532286 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -4.550 tors. eta vs tors. theta energy: 0.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -49.227847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.227847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.227847 (E_RNA) where: Base-Base interactions energy: -18.728 where: short stacking energy: -17.562 Base-Backbone interact. energy: -0.000 local terms energy: -30.499890 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -4.651 flat angles P-C4'-P energy: -4.728 tors. eta vs tors. theta energy: -4.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -70.616764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.616764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.616764 (E_RNA) where: Base-Base interactions energy: -31.677 where: short stacking energy: -30.302 Base-Backbone interact. energy: -0.000 local terms energy: -38.940021 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.479 flat angles P-C4'-P energy: -6.546 tors. eta vs tors. theta energy: -9.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -69.388583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.388583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.388583 (E_RNA) where: Base-Base interactions energy: -30.385 where: short stacking energy: -30.385 Base-Backbone interact. energy: -0.000 local terms energy: -39.003869 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -6.387 tors. eta vs tors. theta energy: -9.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -60.011750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.011750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.011750 (E_RNA) where: Base-Base interactions energy: -27.173 where: short stacking energy: -27.173 Base-Backbone interact. energy: -0.001 local terms energy: -32.837533 where: bonds (distance) C4'-P energy: -6.483 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -5.089 flat angles P-C4'-P energy: -5.505 tors. eta vs tors. theta energy: -7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -69.777693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.777693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.777693 (E_RNA) where: Base-Base interactions energy: -38.845 where: short stacking energy: -23.770 Base-Backbone interact. energy: -0.005 local terms energy: -30.928030 where: bonds (distance) C4'-P energy: -7.381 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.585 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -47.579687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.579687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.579687 (E_RNA) where: Base-Base interactions energy: -15.821 where: short stacking energy: -15.821 Base-Backbone interact. energy: -0.000 local terms energy: -31.758892 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -3.473 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -44.331768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.331768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.331768 (E_RNA) where: Base-Base interactions energy: -21.089 where: short stacking energy: -16.085 Base-Backbone interact. energy: -0.520 local terms energy: -22.723068 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -6.199 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -5.188 tors. eta vs tors. theta energy: 3.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -49.627884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.627884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.627884 (E_RNA) where: Base-Base interactions energy: -24.103 where: short stacking energy: -18.247 Base-Backbone interact. energy: -0.083 local terms energy: -25.441985 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -2.637 flat angles P-C4'-P energy: -1.073 tors. eta vs tors. theta energy: -5.422 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: 6 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -51.272991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.272991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.272991 (E_RNA) where: Base-Base interactions energy: -23.112 where: short stacking energy: -23.112 Base-Backbone interact. energy: -0.001 local terms energy: -28.159949 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.702 flat angles P-C4'-P energy: -2.030 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -46.048421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.048421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.048421 (E_RNA) where: Base-Base interactions energy: -11.707 where: short stacking energy: -11.707 Base-Backbone interact. energy: -0.009 local terms energy: -34.332666 where: bonds (distance) C4'-P energy: -6.478 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -3.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -40.377753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.377753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.377753 (E_RNA) where: Base-Base interactions energy: -8.988 where: short stacking energy: -8.988 Base-Backbone interact. energy: -0.007 local terms energy: -31.382066 where: bonds (distance) C4'-P energy: -7.312 bonds (distance) P-C4' energy: -7.197 flat angles C4'-P-C4' energy: -6.281 flat angles P-C4'-P energy: -6.802 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: 10 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -61.999885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.999885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.999885 (E_RNA) where: Base-Base interactions energy: -29.140 where: short stacking energy: -29.140 Base-Backbone interact. energy: -0.000 local terms energy: -32.859848 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.893 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -3.630 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: 2, replica: 1 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -68.583718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.583718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.583718 (E_RNA) where: Base-Base interactions energy: -30.358 where: short stacking energy: -30.358 Base-Backbone interact. energy: -0.000 local terms energy: -38.225490 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.799 flat angles P-C4'-P energy: -5.411 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -59.796910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.796910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.796910 (E_RNA) where: Base-Base interactions energy: -27.531 where: short stacking energy: -27.531 Base-Backbone interact. energy: -0.002 local terms energy: -32.263174 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -6.611 flat angles C4'-P-C4' energy: -6.564 flat angles P-C4'-P energy: -6.326 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: 7 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -55.895805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.895805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.895805 (E_RNA) where: Base-Base interactions energy: -23.503 where: short stacking energy: -16.496 Base-Backbone interact. energy: -0.027 local terms energy: -32.365037 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -9.302 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -5.679 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: 5, replica: 2 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -50.229171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.229171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.229171 (E_RNA) where: Base-Base interactions energy: -22.859 where: short stacking energy: -14.509 Base-Backbone interact. energy: -0.010 local terms energy: -27.359794 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.322 flat angles C4'-P-C4' energy: -4.323 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: -2.331 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: 6, replica: 3 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -55.717308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.717308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.717308 (E_RNA) where: Base-Base interactions energy: -22.635 where: short stacking energy: -22.635 Base-Backbone interact. energy: 0.255 local terms energy: -33.337474 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -7.147 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -5.339 tors. eta vs tors. theta energy: -4.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -54.393196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.393196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.393196 (E_RNA) where: Base-Base interactions energy: -23.342 where: short stacking energy: -10.305 Base-Backbone interact. energy: -0.036 local terms energy: -31.015231 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.236 flat angles P-C4'-P energy: -6.022 tors. eta vs tors. theta energy: -3.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -44.024598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.024598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.024598 (E_RNA) where: Base-Base interactions energy: -12.490 where: short stacking energy: -12.490 Base-Backbone interact. energy: -0.469 local terms energy: -31.065310 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -7.506 flat angles C4'-P-C4' energy: -7.097 flat angles P-C4'-P energy: -5.344 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: 9, replica: 5 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -44.690590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.690590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.690590 (E_RNA) where: Base-Base interactions energy: -17.609 where: short stacking energy: -11.449 Base-Backbone interact. energy: -0.024 local terms energy: -27.057568 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -6.355 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -4.877 tors. eta vs tors. theta energy: 0.067 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: 4 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -41.625825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.625825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.625825 (E_RNA) where: Base-Base interactions energy: -15.402 where: short stacking energy: -15.402 Base-Backbone interact. energy: -0.092 local terms energy: -26.131787 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -5.505 flat angles C4'-P-C4' energy: -3.871 flat angles P-C4'-P energy: -4.905 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -65.058211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.058211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.058211 (E_RNA) where: Base-Base interactions energy: -31.105 where: short stacking energy: -27.292 Base-Backbone interact. energy: -0.000 local terms energy: -33.953010 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -6.564 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -6.234 tors. eta vs tors. theta energy: -7.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -58.518362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.518362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.518362 (E_RNA) where: Base-Base interactions energy: -25.547 where: short stacking energy: -25.547 Base-Backbone interact. energy: -0.024 local terms energy: -32.947956 where: bonds (distance) C4'-P energy: -6.077 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.280 flat angles P-C4'-P energy: -4.904 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: 3, replica: 1 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -62.830480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.830480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.830480 (E_RNA) where: Base-Base interactions energy: -32.416 where: short stacking energy: -15.941 Base-Backbone interact. energy: -0.893 local terms energy: -29.522312 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.764 flat angles C4'-P-C4' energy: -6.503 flat angles P-C4'-P energy: -5.376 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: 4, replica: 7 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -60.302786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.302786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.302786 (E_RNA) where: Base-Base interactions energy: -28.121 where: short stacking energy: -28.121 Base-Backbone interact. energy: -0.000 local terms energy: -32.181438 where: bonds (distance) C4'-P energy: -6.830 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -5.003 flat angles P-C4'-P energy: -2.635 tors. eta vs tors. theta energy: -10.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -55.967148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.967148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.967148 (E_RNA) where: Base-Base interactions energy: -25.441 where: short stacking energy: -25.441 Base-Backbone interact. energy: -0.000 local terms energy: -30.525990 where: bonds (distance) C4'-P energy: -3.726 bonds (distance) P-C4' energy: -5.904 flat angles C4'-P-C4' energy: -9.301 flat angles P-C4'-P energy: -4.440 tors. eta vs tors. theta energy: -7.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -49.898856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.898856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.898856 (E_RNA) where: Base-Base interactions energy: -23.334 where: short stacking energy: -15.840 Base-Backbone interact. energy: -0.045 local terms energy: -26.520016 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: 0.240 tors. eta vs tors. theta energy: -5.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -48.158018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.158018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.158018 (E_RNA) where: Base-Base interactions energy: -18.595 where: short stacking energy: -18.595 Base-Backbone interact. energy: -0.038 local terms energy: -29.524575 where: bonds (distance) C4'-P energy: -6.417 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -6.525 flat angles P-C4'-P energy: -6.563 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: 5 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -42.058514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.058514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.058514 (E_RNA) where: Base-Base interactions energy: -14.812 where: short stacking energy: -14.810 Base-Backbone interact. energy: -0.133 local terms energy: -27.113122 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -5.620 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -2.048 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: 6 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -44.461727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.461727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.461727 (E_RNA) where: Base-Base interactions energy: -20.158 where: short stacking energy: -14.313 Base-Backbone interact. energy: -0.015 local terms energy: -24.288312 where: bonds (distance) C4'-P energy: -3.114 bonds (distance) P-C4' energy: -5.336 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -6.812 tors. eta vs tors. theta energy: -2.338 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: 4 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -44.294787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.294787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.294787 (E_RNA) where: Base-Base interactions energy: -14.241 where: short stacking energy: -12.884 Base-Backbone interact. energy: -0.001 local terms energy: -30.052857 where: bonds (distance) C4'-P energy: -4.780 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -6.784 flat angles P-C4'-P energy: -7.531 tors. eta vs tors. theta energy: -1.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -65.351890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.351890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.351890 (E_RNA) where: Base-Base interactions energy: -32.284 where: short stacking energy: -27.379 Base-Backbone interact. energy: -0.066 local terms energy: -33.001291 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -4.889 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -58.193424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.193424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.193424 (E_RNA) where: Base-Base interactions energy: -23.247 where: short stacking energy: -20.160 Base-Backbone interact. energy: -0.072 local terms energy: -34.874000 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -4.780 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: 3, replica: 7 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -57.065740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.065740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.065740 (E_RNA) where: Base-Base interactions energy: -23.003 where: short stacking energy: -23.003 Base-Backbone interact. energy: 0.457 local terms energy: -34.520212 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -7.028 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: 4, replica: 1 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -60.840274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.840274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.840274 (E_RNA) where: Base-Base interactions energy: -28.329 where: short stacking energy: -22.502 Base-Backbone interact. energy: -0.001 local terms energy: -32.510278 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -7.373 flat angles C4'-P-C4' energy: -5.335 flat angles P-C4'-P energy: -6.210 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: 5, replica: 9 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -55.537659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.537659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.537659 (E_RNA) where: Base-Base interactions energy: -20.793 where: short stacking energy: -11.796 Base-Backbone interact. energy: -0.062 local terms energy: -34.682857 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -7.290 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -47.607942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.607942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.607942 (E_RNA) where: Base-Base interactions energy: -18.452 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.055 local terms energy: -29.100355 where: bonds (distance) C4'-P energy: -6.412 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.473 flat angles P-C4'-P energy: -6.863 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: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -53.341317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.341317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.341317 (E_RNA) where: Base-Base interactions energy: -22.501 where: short stacking energy: -22.501 Base-Backbone interact. energy: -0.085 local terms energy: -30.755240 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -7.082 flat angles P-C4'-P energy: -5.195 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: 8, replica: 3 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -45.590461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.590461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.590461 (E_RNA) where: Base-Base interactions energy: -15.765 where: short stacking energy: -15.640 Base-Backbone interact. energy: -1.196 local terms energy: -28.629130 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -7.209 flat angles C4'-P-C4' energy: -9.008 flat angles P-C4'-P energy: -1.013 tors. eta vs tors. theta energy: -5.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -44.705427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.705427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.705427 (E_RNA) where: Base-Base interactions energy: -19.193 where: short stacking energy: -19.193 Base-Backbone interact. energy: -0.095 local terms energy: -25.416571 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -5.330 flat angles C4'-P-C4' energy: -4.110 flat angles P-C4'-P energy: -4.176 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: 10, replica: 6 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -48.856671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.856671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.856671 (E_RNA) where: Base-Base interactions energy: -23.238 where: short stacking energy: -23.238 Base-Backbone interact. energy: -0.001 local terms energy: -25.618302 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -5.218 flat angles C4'-P-C4' energy: -4.706 flat angles P-C4'-P energy: -1.974 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: 1, replica: 10 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -64.453834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.453834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.453834 (E_RNA) where: Base-Base interactions energy: -28.104 where: short stacking energy: -28.104 Base-Backbone interact. energy: -0.078 local terms energy: -36.272391 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.597 flat angles P-C4'-P energy: -5.668 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -56.242204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.242204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.242204 (E_RNA) where: Base-Base interactions energy: -21.993 where: short stacking energy: -21.993 Base-Backbone interact. energy: -0.080 local terms energy: -34.169189 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -6.757 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: 3, replica: 7 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -53.278651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.278651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.278651 (E_RNA) where: Base-Base interactions energy: -23.322 where: short stacking energy: -23.322 Base-Backbone interact. energy: -0.077 local terms energy: -29.878953 where: bonds (distance) C4'-P energy: -5.145 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.057 flat angles P-C4'-P energy: -5.884 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: 1 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -53.577469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.577469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.577469 (E_RNA) where: Base-Base interactions energy: -20.673 where: short stacking energy: -20.673 Base-Backbone interact. energy: -0.092 local terms energy: -32.812293 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.823 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: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -59.067708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.067708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.067708 (E_RNA) where: Base-Base interactions energy: -25.973 where: short stacking energy: -25.973 Base-Backbone interact. energy: -0.000 local terms energy: -33.094296 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -5.210 flat angles P-C4'-P energy: -6.566 tors. eta vs tors. theta energy: -7.784 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: 5 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -56.862152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.862152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.862152 (E_RNA) where: Base-Base interactions energy: -23.353 where: short stacking energy: -20.524 Base-Backbone interact. energy: -0.167 local terms energy: -33.341918 where: bonds (distance) C4'-P energy: -5.997 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -5.580 tors. eta vs tors. theta energy: -6.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -49.212932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.212932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.212932 (E_RNA) where: Base-Base interactions energy: -21.590 where: short stacking energy: -21.590 Base-Backbone interact. energy: -0.009 local terms energy: -27.614095 where: bonds (distance) C4'-P energy: -5.237 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -7.684 flat angles P-C4'-P energy: -5.524 tors. eta vs tors. theta energy: -1.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -44.316772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.316772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.316772 (E_RNA) where: Base-Base interactions energy: -14.153 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.008 local terms energy: -30.156268 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -7.195 flat angles P-C4'-P energy: -5.133 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: 9, replica: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -41.048841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.048841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.048841 (E_RNA) where: Base-Base interactions energy: -16.589 where: short stacking energy: -16.589 Base-Backbone interact. energy: -0.019 local terms energy: -24.441494 where: bonds (distance) C4'-P energy: -2.543 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -2.401 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: 10, replica: 6 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -45.576989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.576989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.576989 (E_RNA) where: Base-Base interactions energy: -19.891 where: short stacking energy: -18.490 Base-Backbone interact. energy: 0.956 local terms energy: -26.641982 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -5.281 flat angles C4'-P-C4' energy: -6.237 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -3.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -67.683473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.683473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.683473 (E_RNA) where: Base-Base interactions energy: -33.545 where: short stacking energy: -33.545 Base-Backbone interact. energy: -0.000 local terms energy: -34.138645 where: bonds (distance) C4'-P energy: -5.419 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -5.953 tors. eta vs tors. theta energy: -7.318 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: 2, replica: 10 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -61.444602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.444602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.444602 (E_RNA) where: Base-Base interactions energy: -27.158 where: short stacking energy: -27.158 Base-Backbone interact. energy: -0.004 local terms energy: -34.282509 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -5.751 flat angles P-C4'-P energy: -6.207 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: 3, replica: 1 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -59.174622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.174622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.174622 (E_RNA) where: Base-Base interactions energy: -22.316 where: short stacking energy: -22.316 Base-Backbone interact. energy: -0.000 local terms energy: -36.858271 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -6.976 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: 4, replica: 7 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -65.821037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.821037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.821037 (E_RNA) where: Base-Base interactions energy: -27.799 where: short stacking energy: -27.799 Base-Backbone interact. energy: -0.000 local terms energy: -38.021846 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -5.508 tors. eta vs tors. theta energy: -7.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -61.964097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.964097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.964097 (E_RNA) where: Base-Base interactions energy: -31.841 where: short stacking energy: -22.480 Base-Backbone interact. energy: -0.913 local terms energy: -29.209663 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -2.814 flat angles P-C4'-P energy: -5.988 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -50.883734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.883734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.883734 (E_RNA) where: Base-Base interactions energy: -20.289 where: short stacking energy: -20.289 Base-Backbone interact. energy: -0.001 local terms energy: -30.593464 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -2.274 tors. eta vs tors. theta energy: -4.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -48.239646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.239646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.239646 (E_RNA) where: Base-Base interactions energy: -18.576 where: short stacking energy: -18.576 Base-Backbone interact. energy: -0.001 local terms energy: -29.663078 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -7.994 flat angles P-C4'-P energy: -4.096 tors. eta vs tors. theta energy: -3.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -40.730372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.730372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.730372 (E_RNA) where: Base-Base interactions energy: -16.255 where: short stacking energy: -16.255 Base-Backbone interact. energy: -0.002 local terms energy: -24.472465 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -3.210 flat angles P-C4'-P energy: -2.684 tors. eta vs tors. theta energy: -0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -41.111650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.111650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.111650 (E_RNA) where: Base-Base interactions energy: -16.480 where: short stacking energy: -13.694 Base-Backbone interact. energy: 1.867 local terms energy: -26.498394 where: bonds (distance) C4'-P energy: -6.069 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -2.967 tors. eta vs tors. theta energy: -1.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -37.449261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.449261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.449261 (E_RNA) where: Base-Base interactions energy: -10.115 where: short stacking energy: -8.070 Base-Backbone interact. energy: -0.001 local terms energy: -27.333016 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -4.987 tors. eta vs tors. theta energy: -0.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -66.383924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.383924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.383924 (E_RNA) where: Base-Base interactions energy: -29.831 where: short stacking energy: -29.831 Base-Backbone interact. energy: -0.006 local terms energy: -36.546803 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -7.545 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -57.791695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.791695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.791695 (E_RNA) where: Base-Base interactions energy: -21.089 where: short stacking energy: -21.089 Base-Backbone interact. energy: -0.000 local terms energy: -36.701848 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -8.591 flat angles P-C4'-P energy: -7.334 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: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -53.002826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.002826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.002826 (E_RNA) where: Base-Base interactions energy: -20.761 where: short stacking energy: -20.761 Base-Backbone interact. energy: -0.000 local terms energy: -32.241669 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -6.278 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: 4, replica: 5 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -56.788116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.788116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.788116 (E_RNA) where: Base-Base interactions energy: -23.336 where: short stacking energy: -23.336 Base-Backbone interact. energy: -0.004 local terms energy: -33.448152 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -7.907 flat angles C4'-P-C4' energy: -8.927 flat angles P-C4'-P energy: -2.613 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: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -55.382684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.382684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.382684 (E_RNA) where: Base-Base interactions energy: -22.509 where: short stacking energy: -22.509 Base-Backbone interact. energy: -0.000 local terms energy: -32.873352 where: bonds (distance) C4'-P energy: -6.759 bonds (distance) P-C4' energy: -7.192 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -3.950 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: 6, replica: 4 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -45.881484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.881484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.881484 (E_RNA) where: Base-Base interactions energy: -18.242 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.044 local terms energy: -27.596132 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -6.967 flat angles C4'-P-C4' energy: -9.084 flat angles P-C4'-P energy: -5.136 tors. eta vs tors. theta energy: 0.041 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: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -51.578027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.578027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.578027 (E_RNA) where: Base-Base interactions energy: -19.410 where: short stacking energy: -19.410 Base-Backbone interact. energy: -0.000 local terms energy: -32.168058 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -8.081 flat angles P-C4'-P energy: -3.658 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: 6 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -54.842097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.842097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.842097 (E_RNA) where: Base-Base interactions energy: -24.332 where: short stacking energy: -24.332 Base-Backbone interact. energy: -0.113 local terms energy: -30.396384 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.516 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -4.031 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: 9, replica: 2 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -45.243467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.243467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.243467 (E_RNA) where: Base-Base interactions energy: -19.694 where: short stacking energy: -12.898 Base-Backbone interact. energy: -0.168 local terms energy: -25.381252 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -7.086 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: 1.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -52.721340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.721340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.721340 (E_RNA) where: Base-Base interactions energy: -20.988 where: short stacking energy: -20.988 Base-Backbone interact. energy: -0.002 local terms energy: -31.730680 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.433 flat angles P-C4'-P energy: -4.162 tors. eta vs tors. theta energy: -5.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -78.773128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.773128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.773128 (E_RNA) where: Base-Base interactions energy: -42.453 where: short stacking energy: -30.415 Base-Backbone interact. energy: 0.020 local terms energy: -36.340298 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -7.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -60.019312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.019312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.019312 (E_RNA) where: Base-Base interactions energy: -26.690 where: short stacking energy: -26.690 Base-Backbone interact. energy: -0.013 local terms energy: -33.316876 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -8.422 flat angles P-C4'-P energy: -2.509 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: 3, replica: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -48.345605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.345605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.345605 (E_RNA) where: Base-Base interactions energy: -15.612 where: short stacking energy: -15.612 Base-Backbone interact. energy: -0.026 local terms energy: -32.707871 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.508 flat angles P-C4'-P energy: -6.462 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: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -53.288751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.288751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.288751 (E_RNA) where: Base-Base interactions energy: -23.927 where: short stacking energy: -23.927 Base-Backbone interact. energy: -0.036 local terms energy: -29.325576 where: bonds (distance) C4'-P energy: -4.612 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -7.654 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -54.594516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.594516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.594516 (E_RNA) where: Base-Base interactions energy: -20.368 where: short stacking energy: -20.368 Base-Backbone interact. energy: -0.882 local terms energy: -33.344984 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.227 flat angles C4'-P-C4' energy: -8.058 flat angles P-C4'-P energy: -5.706 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: 6, replica: 7 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -53.332874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.332874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.332874 (E_RNA) where: Base-Base interactions energy: -26.027 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.004 local terms energy: -27.302124 where: bonds (distance) C4'-P energy: -4.231 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -6.381 flat angles P-C4'-P energy: -6.144 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -49.612030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.612030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.612030 (E_RNA) where: Base-Base interactions energy: -16.592 where: short stacking energy: -16.592 Base-Backbone interact. energy: -0.045 local terms energy: -32.975164 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.363 flat angles P-C4'-P energy: -4.712 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: 9 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -50.197850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.197850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.197850 (E_RNA) where: Base-Base interactions energy: -20.487 where: short stacking energy: -20.487 Base-Backbone interact. energy: -0.000 local terms energy: -29.711273 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -7.341 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -2.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -52.427402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.427402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.427402 (E_RNA) where: Base-Base interactions energy: -20.703 where: short stacking energy: -20.703 Base-Backbone interact. energy: -0.003 local terms energy: -31.721116 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -5.996 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: 10, replica: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -40.086877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.086877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.086877 (E_RNA) where: Base-Base interactions energy: -11.563 where: short stacking energy: -11.563 Base-Backbone interact. energy: -0.079 local terms energy: -28.445048 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.848 flat angles P-C4'-P energy: -5.048 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: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -86.038398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.038398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.038398 (E_RNA) where: Base-Base interactions energy: -46.919 where: short stacking energy: -26.300 Base-Backbone interact. energy: -0.000 local terms energy: -39.118772 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.342 flat angles C4'-P-C4' energy: -7.335 flat angles P-C4'-P energy: -7.639 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: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -59.021208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.021208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.021208 (E_RNA) where: Base-Base interactions energy: -26.427 where: short stacking energy: -16.671 Base-Backbone interact. energy: -0.033 local terms energy: -32.561542 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -6.472 flat angles P-C4'-P energy: -4.702 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: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -50.702483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.702483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.702483 (E_RNA) where: Base-Base interactions energy: -25.203 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.191 local terms energy: -25.308234 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -3.370 tors. eta vs tors. theta energy: -1.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -52.352379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.352379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.352379 (E_RNA) where: Base-Base interactions energy: -17.632 where: short stacking energy: -17.344 Base-Backbone interact. energy: -0.000 local terms energy: -34.720834 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.662 flat angles P-C4'-P energy: -6.038 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -46.755101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.755101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.755101 (E_RNA) where: Base-Base interactions energy: -18.530 where: short stacking energy: -18.530 Base-Backbone interact. energy: -0.019 local terms energy: -28.206169 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -4.276 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: 6, replica: 6 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -48.484115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.484115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.484115 (E_RNA) where: Base-Base interactions energy: -22.528 where: short stacking energy: -22.528 Base-Backbone interact. energy: -0.002 local terms energy: -25.954527 where: bonds (distance) C4'-P energy: -3.964 bonds (distance) P-C4' energy: -8.517 flat angles C4'-P-C4' energy: -5.450 flat angles P-C4'-P energy: -3.035 tors. eta vs tors. theta energy: -4.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -47.432878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.432878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.432878 (E_RNA) where: Base-Base interactions energy: -16.361 where: short stacking energy: -16.361 Base-Backbone interact. energy: -0.033 local terms energy: -31.039370 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.595 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -43.515517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.515517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.515517 (E_RNA) where: Base-Base interactions energy: -16.082 where: short stacking energy: -16.082 Base-Backbone interact. energy: 0.018 local terms energy: -27.451368 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -4.791 flat angles P-C4'-P energy: -4.063 tors. eta vs tors. theta energy: -1.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -45.931022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.931022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.931022 (E_RNA) where: Base-Base interactions energy: -20.626 where: short stacking energy: -17.459 Base-Backbone interact. energy: -0.008 local terms energy: -25.297131 where: bonds (distance) C4'-P energy: -5.778 bonds (distance) P-C4' energy: -6.340 flat angles C4'-P-C4' energy: -6.821 flat angles P-C4'-P energy: -4.925 tors. eta vs tors. theta energy: -1.432 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: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -39.711066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.711066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.711066 (E_RNA) where: Base-Base interactions energy: -9.511 where: short stacking energy: -9.511 Base-Backbone interact. energy: -0.033 local terms energy: -30.167102 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.944 flat angles P-C4'-P energy: -6.810 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: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -81.974860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.974860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.974860 (E_RNA) where: Base-Base interactions energy: -48.454 where: short stacking energy: -22.054 Base-Backbone interact. energy: -0.097 local terms energy: -33.423959 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.813 flat angles P-C4'-P energy: -6.231 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: 2, replica: 1 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -67.509459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.509459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.509459 (E_RNA) where: Base-Base interactions energy: -34.432 where: short stacking energy: -25.145 Base-Backbone interact. energy: -0.004 local terms energy: -33.073940 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -4.127 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: 3, replica: 4 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -58.585835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.585835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.585835 (E_RNA) where: Base-Base interactions energy: -25.048 where: short stacking energy: -20.468 Base-Backbone interact. energy: -0.067 local terms energy: -33.470658 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -6.877 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: 4, replica: 8 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -55.150909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.150909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.150909 (E_RNA) where: Base-Base interactions energy: -21.135 where: short stacking energy: -21.135 Base-Backbone interact. energy: -0.145 local terms energy: -33.871052 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -5.921 flat angles C4'-P-C4' energy: -6.685 flat angles P-C4'-P energy: -7.744 tors. eta vs tors. theta energy: -5.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -50.188522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.188522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.188522 (E_RNA) where: Base-Base interactions energy: -25.918 where: short stacking energy: -10.418 Base-Backbone interact. energy: -0.396 local terms energy: -23.874104 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -5.680 flat angles P-C4'-P energy: -4.910 tors. eta vs tors. theta energy: 1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -49.105882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.105882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.105882 (E_RNA) where: Base-Base interactions energy: -20.233 where: short stacking energy: -19.156 Base-Backbone interact. energy: -0.065 local terms energy: -28.807883 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -5.381 flat angles P-C4'-P energy: -6.279 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: 7, replica: 9 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -47.878282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.878282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.878282 (E_RNA) where: Base-Base interactions energy: -20.710 where: short stacking energy: -20.710 Base-Backbone interact. energy: -0.447 local terms energy: -26.721481 where: bonds (distance) C4'-P energy: -5.316 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -3.510 flat angles P-C4'-P energy: -2.681 tors. eta vs tors. theta energy: -8.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -53.316909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.316909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.316909 (E_RNA) where: Base-Base interactions energy: -23.841 where: short stacking energy: -23.841 Base-Backbone interact. energy: -0.012 local terms energy: -29.463385 where: bonds (distance) C4'-P energy: -1.622 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.747 flat angles P-C4'-P energy: -5.494 tors. eta vs tors. theta energy: -6.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -42.564293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.564293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.564293 (E_RNA) where: Base-Base interactions energy: -12.205 where: short stacking energy: -12.205 Base-Backbone interact. energy: -0.000 local terms energy: -30.359350 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -36.983945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.983945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.983945 (E_RNA) where: Base-Base interactions energy: -13.282 where: short stacking energy: -13.282 Base-Backbone interact. energy: -0.115 local terms energy: -23.586399 where: bonds (distance) C4'-P energy: -6.254 bonds (distance) P-C4' energy: -6.198 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -3.183 tors. eta vs tors. theta energy: 0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -79.826030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.826030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.826030 (E_RNA) where: Base-Base interactions energy: -44.911 where: short stacking energy: -28.961 Base-Backbone interact. energy: 0.384 local terms energy: -35.298964 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -4.038 tors. eta vs tors. theta energy: -7.456 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: 4 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -58.585301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.585301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.585301 (E_RNA) where: Base-Base interactions energy: -24.912 where: short stacking energy: -24.912 Base-Backbone interact. energy: -0.000 local terms energy: -33.672685 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.602 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -4.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -69.070744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.070744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.070744 (E_RNA) where: Base-Base interactions energy: -31.123 where: short stacking energy: -31.123 Base-Backbone interact. energy: 0.508 local terms energy: -38.456032 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -55.887800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.887800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.887800 (E_RNA) where: Base-Base interactions energy: -27.098 where: short stacking energy: -24.505 Base-Backbone interact. energy: -1.615 local terms energy: -27.175300 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.903 flat angles P-C4'-P energy: -1.484 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: 5, replica: 8 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -57.881723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.881723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.881723 (E_RNA) where: Base-Base interactions energy: -24.137 where: short stacking energy: -24.137 Base-Backbone interact. energy: -0.000 local terms energy: -33.744714 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -4.347 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -54.840020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.840020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.840020 (E_RNA) where: Base-Base interactions energy: -25.094 where: short stacking energy: -25.094 Base-Backbone interact. energy: -0.000 local terms energy: -29.745968 where: bonds (distance) C4'-P energy: -4.165 bonds (distance) P-C4' energy: -7.992 flat angles C4'-P-C4' energy: -6.755 flat angles P-C4'-P energy: -2.782 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: 7, replica: 5 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -51.050439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.050439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.050439 (E_RNA) where: Base-Base interactions energy: -18.264 where: short stacking energy: -18.264 Base-Backbone interact. energy: -0.001 local terms energy: -32.785125 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -5.984 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -43.851005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.851005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.851005 (E_RNA) where: Base-Base interactions energy: -17.413 where: short stacking energy: -11.310 Base-Backbone interact. energy: -0.003 local terms energy: -26.435501 where: bonds (distance) C4'-P energy: -8.598 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.464 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -0.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -43.693896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.693896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.693896 (E_RNA) where: Base-Base interactions energy: -17.555 where: short stacking energy: -16.859 Base-Backbone interact. energy: -0.003 local terms energy: -26.135752 where: bonds (distance) C4'-P energy: -8.092 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -6.149 flat angles P-C4'-P energy: -1.414 tors. eta vs tors. theta energy: -2.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -36.752381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.752381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.752381 (E_RNA) where: Base-Base interactions energy: -12.001 where: short stacking energy: -12.001 Base-Backbone interact. energy: -0.012 local terms energy: -24.738638 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -0.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -65.048045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.048045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.048045 (E_RNA) where: Base-Base interactions energy: -26.917 where: short stacking energy: -26.917 Base-Backbone interact. energy: -0.091 local terms energy: -38.040702 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.206 flat angles C4'-P-C4' energy: -7.094 flat angles P-C4'-P energy: -6.299 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: 2, replica: 10 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -74.538515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.538515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.538515 (E_RNA) where: Base-Base interactions energy: -36.516 where: short stacking energy: -23.588 Base-Backbone interact. energy: -0.001 local terms energy: -38.021875 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.221 flat angles P-C4'-P energy: -6.081 tors. eta vs tors. theta energy: -7.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -55.382073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.382073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.382073 (E_RNA) where: Base-Base interactions energy: -25.632 where: short stacking energy: -18.980 Base-Backbone interact. energy: -0.042 local terms energy: -29.707929 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -2.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -51.146621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.146621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.146621 (E_RNA) where: Base-Base interactions energy: -19.709 where: short stacking energy: -16.475 Base-Backbone interact. energy: -0.062 local terms energy: -31.374988 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -5.616 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: 5, replica: 9 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -52.508549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.508549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.508549 (E_RNA) where: Base-Base interactions energy: -23.132 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.092 local terms energy: -29.284922 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -4.897 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: 6, replica: 8 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -51.641842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.641842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.641842 (E_RNA) where: Base-Base interactions energy: -20.784 where: short stacking energy: -20.784 Base-Backbone interact. energy: -0.000 local terms energy: -30.857730 where: bonds (distance) C4'-P energy: -6.926 bonds (distance) P-C4' energy: -6.291 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -4.272 tors. eta vs tors. theta energy: -4.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -45.487404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.487404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.487404 (E_RNA) where: Base-Base interactions energy: -19.793 where: short stacking energy: -19.793 Base-Backbone interact. energy: -0.048 local terms energy: -25.646645 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.019 flat angles C4'-P-C4' energy: -3.283 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -1.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -43.764603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.764603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.764603 (E_RNA) where: Base-Base interactions energy: -17.196 where: short stacking energy: -17.196 Base-Backbone interact. energy: -0.004 local terms energy: -26.564268 where: bonds (distance) C4'-P energy: -6.511 bonds (distance) P-C4' energy: -6.578 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -4.989 tors. eta vs tors. theta energy: -2.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -39.199968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.199968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.199968 (E_RNA) where: Base-Base interactions energy: -12.609 where: short stacking energy: -12.609 Base-Backbone interact. energy: -0.014 local terms energy: -26.576321 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -5.305 flat angles P-C4'-P energy: -6.324 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -40.323004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.323004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.323004 (E_RNA) where: Base-Base interactions energy: -9.578 where: short stacking energy: -9.578 Base-Backbone interact. energy: -0.093 local terms energy: -30.651089 where: bonds (distance) C4'-P energy: -6.326 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -5.473 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: 1, replica: 4 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -63.256033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.256033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.256033 (E_RNA) where: Base-Base interactions energy: -26.246 where: short stacking energy: -26.246 Base-Backbone interact. energy: -0.009 local terms energy: -37.000607 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.179 flat angles P-C4'-P energy: -6.662 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -58.883816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.883816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.883816 (E_RNA) where: Base-Base interactions energy: -22.712 where: short stacking energy: -22.712 Base-Backbone interact. energy: -0.000 local terms energy: -36.171436 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -5.045 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: 3, replica: 10 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -52.347276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.347276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.347276 (E_RNA) where: Base-Base interactions energy: -24.123 where: short stacking energy: -20.997 Base-Backbone interact. energy: -0.006 local terms energy: -28.218140 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -6.700 flat angles P-C4'-P energy: -4.978 tors. eta vs tors. theta energy: -3.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -54.010130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.010130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.010130 (E_RNA) where: Base-Base interactions energy: -20.863 where: short stacking energy: -19.128 Base-Backbone interact. energy: -0.088 local terms energy: -33.059030 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -8.052 flat angles C4'-P-C4' energy: -5.676 flat angles P-C4'-P energy: -6.609 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: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -48.696684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.696684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.696684 (E_RNA) where: Base-Base interactions energy: -18.290 where: short stacking energy: -18.290 Base-Backbone interact. energy: -0.060 local terms energy: -30.346599 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.296 flat angles P-C4'-P energy: -5.444 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: 6, replica: 7 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -55.471352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.471352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.471352 (E_RNA) where: Base-Base interactions energy: -22.616 where: short stacking energy: -14.292 Base-Backbone interact. energy: -0.007 local terms energy: -32.848829 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.739 flat angles C4'-P-C4' energy: -7.732 flat angles P-C4'-P energy: -5.089 tors. eta vs tors. theta energy: -3.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -49.685373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.685373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.685373 (E_RNA) where: Base-Base interactions energy: -21.615 where: short stacking energy: -15.852 Base-Backbone interact. energy: 0.330 local terms energy: -28.400953 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -2.571 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -41.649791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.649791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.649791 (E_RNA) where: Base-Base interactions energy: -12.642 where: short stacking energy: -11.433 Base-Backbone interact. energy: -0.142 local terms energy: -28.865909 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.711 flat angles P-C4'-P energy: -3.004 tors. eta vs tors. theta energy: -1.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -36.782104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.782104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.782104 (E_RNA) where: Base-Base interactions energy: -8.084 where: short stacking energy: -8.084 Base-Backbone interact. energy: -0.475 local terms energy: -28.222944 where: bonds (distance) C4'-P energy: -6.139 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -5.294 tors. eta vs tors. theta energy: -2.809 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: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -40.030556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.030556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.030556 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.023 local terms energy: -27.315730 where: bonds (distance) C4'-P energy: -5.026 bonds (distance) P-C4' energy: -6.379 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -3.809 tors. eta vs tors. theta energy: -4.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -61.498412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.498412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.498412 (E_RNA) where: Base-Base interactions energy: -33.370 where: short stacking energy: -20.489 Base-Backbone interact. energy: -0.003 local terms energy: -28.125300 where: bonds (distance) C4'-P energy: -7.451 bonds (distance) P-C4' energy: -6.329 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -2.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -68.632649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.632649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.632649 (E_RNA) where: Base-Base interactions energy: -37.699 where: short stacking energy: -27.528 Base-Backbone interact. energy: -0.001 local terms energy: -30.932240 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -8.283 flat angles C4'-P-C4' energy: -6.200 flat angles P-C4'-P energy: -4.811 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: 3, replica: 9 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -56.954181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.954181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.954181 (E_RNA) where: Base-Base interactions energy: -23.122 where: short stacking energy: -21.684 Base-Backbone interact. energy: -0.004 local terms energy: -33.827845 where: bonds (distance) C4'-P energy: -6.976 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -3.898 tors. eta vs tors. theta energy: -7.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -53.426381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.426381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.426381 (E_RNA) where: Base-Base interactions energy: -21.886 where: short stacking energy: -21.886 Base-Backbone interact. energy: -0.353 local terms energy: -31.187849 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.052 flat angles P-C4'-P energy: -4.892 tors. eta vs tors. theta energy: -5.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -55.592608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.592608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.592608 (E_RNA) where: Base-Base interactions energy: -28.474 where: short stacking energy: -20.338 Base-Backbone interact. energy: -0.060 local terms energy: -27.059038 where: bonds (distance) C4'-P energy: -7.369 bonds (distance) P-C4' energy: -6.137 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -4.663 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: 6, replica: 1 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -45.293602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.293602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.293602 (E_RNA) where: Base-Base interactions energy: -21.051 where: short stacking energy: -20.239 Base-Backbone interact. energy: -0.092 local terms energy: -24.150804 where: bonds (distance) C4'-P energy: -5.779 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.972 flat angles P-C4'-P energy: -4.294 tors. eta vs tors. theta energy: -0.065 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: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -49.478088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.478088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.478088 (E_RNA) where: Base-Base interactions energy: -16.097 where: short stacking energy: -16.097 Base-Backbone interact. energy: -0.058 local terms energy: -33.323873 where: bonds (distance) C4'-P energy: -7.178 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -4.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -44.010616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.010616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.010616 (E_RNA) where: Base-Base interactions energy: -14.264 where: short stacking energy: -14.264 Base-Backbone interact. energy: -0.061 local terms energy: -29.685403 where: bonds (distance) C4'-P energy: -7.906 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -8.790 flat angles P-C4'-P energy: -3.466 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -41.098481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.098481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.098481 (E_RNA) where: Base-Base interactions energy: -17.791 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.096 local terms energy: -23.211597 where: bonds (distance) C4'-P energy: -5.970 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.868 flat angles P-C4'-P energy: -4.266 tors. eta vs tors. theta energy: 0.992 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: 5 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -40.773835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.773835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.773835 (E_RNA) where: Base-Base interactions energy: -14.721 where: short stacking energy: -14.721 Base-Backbone interact. energy: -0.011 local terms energy: -26.041113 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.578 flat angles P-C4'-P energy: -2.192 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: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -61.132468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.132468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.132468 (E_RNA) where: Base-Base interactions energy: -29.354 where: short stacking energy: -19.717 Base-Backbone interact. energy: -0.142 local terms energy: -31.636960 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.492 flat angles P-C4'-P energy: -4.761 tors. eta vs tors. theta energy: -1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -58.248507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.248507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.248507 (E_RNA) where: Base-Base interactions energy: -22.453 where: short stacking energy: -22.453 Base-Backbone interact. energy: -0.000 local terms energy: -35.795450 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -9.463 flat angles P-C4'-P energy: -5.547 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: 3, replica: 4 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -64.845964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.845964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.845964 (E_RNA) where: Base-Base interactions energy: -34.159 where: short stacking energy: -25.908 Base-Backbone interact. energy: -0.039 local terms energy: -30.647824 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.793 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -5.551 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: 4, replica: 7 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -57.970779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.970779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.970779 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.000 local terms energy: -33.672214 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.179 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -47.100084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.100084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.100084 (E_RNA) where: Base-Base interactions energy: -20.617 where: short stacking energy: -19.747 Base-Backbone interact. energy: -0.856 local terms energy: -25.626594 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -6.230 flat angles P-C4'-P energy: -6.065 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: 6, replica: 3 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -60.865034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.865034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.865034 (E_RNA) where: Base-Base interactions energy: -22.372 where: short stacking energy: -22.288 Base-Backbone interact. energy: -0.004 local terms energy: -38.489200 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.325 flat angles P-C4'-P energy: -5.336 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: 7, replica: 1 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -53.043991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.043991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.043991 (E_RNA) where: Base-Base interactions energy: -21.331 where: short stacking energy: -20.757 Base-Backbone interact. energy: -0.028 local terms energy: -31.684959 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -5.225 tors. eta vs tors. theta energy: -3.458 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: 8 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -46.627133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.627133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.627133 (E_RNA) where: Base-Base interactions energy: -19.227 where: short stacking energy: -19.227 Base-Backbone interact. energy: -0.032 local terms energy: -27.368333 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -0.793 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: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -42.909402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.909402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.909402 (E_RNA) where: Base-Base interactions energy: -17.391 where: short stacking energy: -17.391 Base-Backbone interact. energy: -0.006 local terms energy: -25.512284 where: bonds (distance) C4'-P energy: -5.783 bonds (distance) P-C4' energy: -7.468 flat angles C4'-P-C4' energy: -6.380 flat angles P-C4'-P energy: -4.053 tors. eta vs tors. theta energy: -1.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -44.127888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.127888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.127888 (E_RNA) where: Base-Base interactions energy: -13.158 where: short stacking energy: -13.158 Base-Backbone interact. energy: -0.130 local terms energy: -30.839186 where: bonds (distance) C4'-P energy: -7.410 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -6.136 flat angles P-C4'-P energy: -5.856 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: 9 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -59.802408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.802408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.802408 (E_RNA) where: Base-Base interactions energy: -25.955 where: short stacking energy: -21.952 Base-Backbone interact. energy: -0.037 local terms energy: -33.809748 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.883 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -4.527 tors. eta vs tors. theta energy: -4.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -67.989177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.989177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.989177 (E_RNA) where: Base-Base interactions energy: -29.601 where: short stacking energy: -29.601 Base-Backbone interact. energy: -0.000 local terms energy: -38.388610 where: bonds (distance) C4'-P energy: -7.103 bonds (distance) P-C4' energy: -8.330 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -5.733 tors. eta vs tors. theta energy: -8.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -60.896070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.896070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.896070 (E_RNA) where: Base-Base interactions energy: -25.375 where: short stacking energy: -25.375 Base-Backbone interact. energy: -0.093 local terms energy: -35.427710 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.288 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -66.872116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.872116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.872116 (E_RNA) where: Base-Base interactions energy: -31.785 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.000 local terms energy: -35.087277 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -3.978 tors. eta vs tors. theta energy: -9.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -59.374279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.374279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.374279 (E_RNA) where: Base-Base interactions energy: -26.542 where: short stacking energy: -26.542 Base-Backbone interact. energy: -0.000 local terms energy: -32.831385 where: bonds (distance) C4'-P energy: -8.316 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -5.759 flat angles P-C4'-P energy: -4.812 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: 6, replica: 10 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -62.931200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.931200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.931200 (E_RNA) where: Base-Base interactions energy: -32.876 where: short stacking energy: -20.774 Base-Backbone interact. energy: -0.014 local terms energy: -30.041920 where: bonds (distance) C4'-P energy: -3.734 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.841 flat angles P-C4'-P energy: -5.051 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: 7, replica: 8 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -45.997646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.997646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.997646 (E_RNA) where: Base-Base interactions energy: -15.483 where: short stacking energy: -15.483 Base-Backbone interact. energy: -0.000 local terms energy: -30.514191 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -4.728 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: 1 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -45.866285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.866285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.866285 (E_RNA) where: Base-Base interactions energy: -16.610 where: short stacking energy: -16.610 Base-Backbone interact. energy: -0.000 local terms energy: -29.256301 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -4.481 flat angles P-C4'-P energy: -5.975 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: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -44.988526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.988526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.988526 (E_RNA) where: Base-Base interactions energy: -13.481 where: short stacking energy: -13.481 Base-Backbone interact. energy: -0.081 local terms energy: -31.427025 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.737 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -38.814704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.814704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.814704 (E_RNA) where: Base-Base interactions energy: -9.897 where: short stacking energy: -9.897 Base-Backbone interact. energy: -0.021 local terms energy: -28.897225 where: bonds (distance) C4'-P energy: -5.796 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -6.832 flat angles P-C4'-P energy: -5.448 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: 1, replica: 9 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -62.803600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.803600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.803600 (E_RNA) where: Base-Base interactions energy: -27.026 where: short stacking energy: -25.808 Base-Backbone interact. energy: -0.003 local terms energy: -35.774521 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.643 flat angles P-C4'-P energy: -5.482 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -65.331247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.331247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.331247 (E_RNA) where: Base-Base interactions energy: -30.788 where: short stacking energy: -30.788 Base-Backbone interact. energy: -0.001 local terms energy: -34.541955 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -5.772 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -5.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -63.591051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.591051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.591051 (E_RNA) where: Base-Base interactions energy: -33.514 where: short stacking energy: -26.526 Base-Backbone interact. energy: -0.028 local terms energy: -30.049314 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -6.082 flat angles C4'-P-C4' energy: -8.457 flat angles P-C4'-P energy: -3.980 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: 4, replica: 4 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -61.256903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.256903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.256903 (E_RNA) where: Base-Base interactions energy: -25.293 where: short stacking energy: -25.293 Base-Backbone interact. energy: -0.000 local terms energy: -35.964131 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -7.400 flat angles P-C4'-P energy: -1.613 tors. eta vs tors. theta energy: -10.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -48.495223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.495223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.495223 (E_RNA) where: Base-Base interactions energy: -19.322 where: short stacking energy: -18.919 Base-Backbone interact. energy: -0.063 local terms energy: -29.110439 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.350 flat angles P-C4'-P energy: -4.588 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: 6, replica: 8 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -51.980951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.980951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.980951 (E_RNA) where: Base-Base interactions energy: -19.637 where: short stacking energy: -19.637 Base-Backbone interact. energy: 0.018 local terms energy: -32.362806 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -9.571 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -6.802 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: 7, replica: 10 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -69.974863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.974863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.974863 (E_RNA) where: Base-Base interactions energy: -38.433 where: short stacking energy: -23.420 Base-Backbone interact. energy: -0.013 local terms energy: -31.529405 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -5.881 flat angles P-C4'-P energy: -4.751 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: 8, replica: 2 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -50.109624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.109624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.109624 (E_RNA) where: Base-Base interactions energy: -19.056 where: short stacking energy: -19.056 Base-Backbone interact. energy: -0.045 local terms energy: -31.008602 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -5.187 flat angles C4'-P-C4' energy: -6.359 flat angles P-C4'-P energy: -6.782 tors. eta vs tors. theta energy: -5.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -39.446808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.446808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.446808 (E_RNA) where: Base-Base interactions energy: -8.656 where: short stacking energy: -7.075 Base-Backbone interact. energy: -0.002 local terms energy: -30.788057 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -5.201 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -50.171756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.171756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.171756 (E_RNA) where: Base-Base interactions energy: -21.545 where: short stacking energy: -21.545 Base-Backbone interact. energy: -0.000 local terms energy: -28.626531 where: bonds (distance) C4'-P energy: 0.076 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.405 flat angles P-C4'-P energy: -4.147 tors. eta vs tors. theta energy: -7.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -68.858329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.858329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.858329 (E_RNA) where: Base-Base interactions energy: -34.311 where: short stacking energy: -28.988 Base-Backbone interact. energy: -0.002 local terms energy: -34.544529 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -5.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -57.617235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.617235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.617235 (E_RNA) where: Base-Base interactions energy: -23.050 where: short stacking energy: -22.558 Base-Backbone interact. energy: -0.055 local terms energy: -34.512626 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.510 flat angles C4'-P-C4' energy: -7.322 flat angles P-C4'-P energy: -4.520 tors. eta vs tors. theta energy: -5.534 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: 3, replica: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -67.196928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.196928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.196928 (E_RNA) where: Base-Base interactions energy: -31.702 where: short stacking energy: -31.702 Base-Backbone interact. energy: -0.000 local terms energy: -35.494943 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -7.026 flat angles C4'-P-C4' energy: -8.218 flat angles P-C4'-P energy: -4.699 tors. eta vs tors. theta energy: -7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -54.562115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.562115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.562115 (E_RNA) where: Base-Base interactions energy: -21.247 where: short stacking energy: -21.247 Base-Backbone interact. energy: -0.034 local terms energy: -33.281789 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.257 flat angles P-C4'-P energy: -6.582 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: 5, replica: 8 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -63.816343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.816343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.816343 (E_RNA) where: Base-Base interactions energy: -28.174 where: short stacking energy: -28.174 Base-Backbone interact. energy: -0.000 local terms energy: -35.642578 where: bonds (distance) C4'-P energy: -7.191 bonds (distance) P-C4' energy: -8.570 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -4.151 tors. eta vs tors. theta energy: -7.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -53.726020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.726020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.726020 (E_RNA) where: Base-Base interactions energy: -24.849 where: short stacking energy: -24.849 Base-Backbone interact. energy: -0.002 local terms energy: -28.875207 where: bonds (distance) C4'-P energy: -4.878 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.604 flat angles P-C4'-P energy: -4.184 tors. eta vs tors. theta energy: -4.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -44.922078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.922078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.922078 (E_RNA) where: Base-Base interactions energy: -19.368 where: short stacking energy: -13.502 Base-Backbone interact. energy: -0.093 local terms energy: -25.461074 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.912 flat angles P-C4'-P energy: -5.250 tors. eta vs tors. theta energy: 1.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -57.979517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.979517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.979517 (E_RNA) where: Base-Base interactions energy: -29.101 where: short stacking energy: -29.101 Base-Backbone interact. energy: -0.002 local terms energy: -28.876655 where: bonds (distance) C4'-P energy: -3.307 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -3.541 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: 9, replica: 5 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -47.954214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.954214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.954214 (E_RNA) where: Base-Base interactions energy: -17.765 where: short stacking energy: -16.797 Base-Backbone interact. energy: -0.002 local terms energy: -30.187363 where: bonds (distance) C4'-P energy: -5.610 bonds (distance) P-C4' energy: -7.492 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: -6.133 tors. eta vs tors. theta energy: -3.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -37.743028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.743028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.743028 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -9.727 Base-Backbone interact. energy: 0.231 local terms energy: -22.386906 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -3.285 flat angles P-C4'-P energy: -0.959 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -71.972830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.972830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.972830 (E_RNA) where: Base-Base interactions energy: -35.698 where: short stacking energy: -35.698 Base-Backbone interact. energy: -0.000 local terms energy: -36.274476 where: bonds (distance) C4'-P energy: -5.183 bonds (distance) P-C4' energy: -6.603 flat angles C4'-P-C4' energy: -7.672 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -11.765 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: 319 Temperature: 0.950000 Total energy: -58.465628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.465628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.465628 (E_RNA) where: Base-Base interactions energy: -24.043 where: short stacking energy: -24.043 Base-Backbone interact. energy: -0.000 local terms energy: -34.422989 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -5.138 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: 3, replica: 9 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -62.105204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.105204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.105204 (E_RNA) where: Base-Base interactions energy: -24.232 where: short stacking energy: -23.397 Base-Backbone interact. energy: -0.005 local terms energy: -37.868378 where: bonds (distance) C4'-P energy: -7.092 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -8.641 flat angles P-C4'-P energy: -7.161 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: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -66.911703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.911703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.911703 (E_RNA) where: Base-Base interactions energy: -30.313 where: short stacking energy: -29.274 Base-Backbone interact. energy: -0.000 local terms energy: -36.598196 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -8.562 flat angles P-C4'-P energy: -5.513 tors. eta vs tors. theta energy: -9.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -51.078103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.078103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.078103 (E_RNA) where: Base-Base interactions energy: -17.250 where: short stacking energy: -17.250 Base-Backbone interact. energy: -0.188 local terms energy: -33.639930 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.650 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -5.492 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: 6, replica: 3 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -50.219920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.219920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.219920 (E_RNA) where: Base-Base interactions energy: -24.288 where: short stacking energy: -10.205 Base-Backbone interact. energy: 0.151 local terms energy: -26.082597 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -7.509 flat angles C4'-P-C4' energy: -7.579 flat angles P-C4'-P energy: -4.721 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: 7, replica: 2 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -46.092566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.092566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.092566 (E_RNA) where: Base-Base interactions energy: -15.700 where: short stacking energy: -13.744 Base-Backbone interact. energy: -0.015 local terms energy: -30.378034 where: bonds (distance) C4'-P energy: -6.644 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -6.020 flat angles P-C4'-P energy: -4.707 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: 5 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -44.683948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.683948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.683948 (E_RNA) where: Base-Base interactions energy: -15.062 where: short stacking energy: -15.062 Base-Backbone interact. energy: -0.006 local terms energy: -29.616335 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -5.390 flat angles C4'-P-C4' energy: -6.725 flat angles P-C4'-P energy: -4.378 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: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -45.785049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.785049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.785049 (E_RNA) where: Base-Base interactions energy: -17.788 where: short stacking energy: -16.415 Base-Backbone interact. energy: 0.758 local terms energy: -28.755440 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.001 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -1.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -40.775731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.775731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.775731 (E_RNA) where: Base-Base interactions energy: -12.069 where: short stacking energy: -12.069 Base-Backbone interact. energy: -0.065 local terms energy: -28.641602 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -8.346 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -0.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -69.947209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.947209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.947209 (E_RNA) where: Base-Base interactions energy: -29.961 where: short stacking energy: -29.961 Base-Backbone interact. energy: -0.000 local terms energy: -39.985926 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -7.652 flat angles C4'-P-C4' energy: -8.969 flat angles P-C4'-P energy: -6.885 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: 2, replica: 6 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -64.320783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.320783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.320783 (E_RNA) where: Base-Base interactions energy: -27.399 where: short stacking energy: -27.399 Base-Backbone interact. energy: -0.002 local terms energy: -36.919674 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -6.644 tors. eta vs tors. theta energy: -8.083 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: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -56.234568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.234568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.234568 (E_RNA) where: Base-Base interactions energy: -21.182 where: short stacking energy: -21.182 Base-Backbone interact. energy: -0.008 local terms energy: -35.044444 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.111 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -5.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -49.069360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.069360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.069360 (E_RNA) where: Base-Base interactions energy: -23.853 where: short stacking energy: -16.280 Base-Backbone interact. energy: -0.078 local terms energy: -25.138442 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -3.306 tors. eta vs tors. theta energy: -2.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -50.988661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.988661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.988661 (E_RNA) where: Base-Base interactions energy: -21.954 where: short stacking energy: -21.954 Base-Backbone interact. energy: -0.038 local terms energy: -28.996919 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -1.177 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: 6, replica: 7 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -43.668870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.668870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.668870 (E_RNA) where: Base-Base interactions energy: -13.951 where: short stacking energy: -13.951 Base-Backbone interact. energy: -0.014 local terms energy: -29.704185 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.718 flat angles P-C4'-P energy: -2.739 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: 7, replica: 5 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -50.818264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.818264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.818264 (E_RNA) where: Base-Base interactions energy: -19.130 where: short stacking energy: -19.130 Base-Backbone interact. energy: -0.029 local terms energy: -31.658960 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -6.416 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -39.353486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.353486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.353486 (E_RNA) where: Base-Base interactions energy: -14.674 where: short stacking energy: -13.817 Base-Backbone interact. energy: -0.024 local terms energy: -24.655419 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -6.629 flat angles P-C4'-P energy: -4.353 tors. eta vs tors. theta energy: -4.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -40.264241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.264241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.264241 (E_RNA) where: Base-Base interactions energy: -12.428 where: short stacking energy: -12.428 Base-Backbone interact. energy: 0.338 local terms energy: -28.173494 where: bonds (distance) C4'-P energy: -8.652 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -2.658 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -41.699561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.699561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.699561 (E_RNA) where: Base-Base interactions energy: -15.430 where: short stacking energy: -15.430 Base-Backbone interact. energy: -0.093 local terms energy: -26.175788 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -3.110 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: 1, replica: 4 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -61.182113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.182113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.182113 (E_RNA) where: Base-Base interactions energy: -26.998 where: short stacking energy: -26.998 Base-Backbone interact. energy: -0.064 local terms energy: -34.120126 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.341 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: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -66.213962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.213962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.213962 (E_RNA) where: Base-Base interactions energy: -31.135 where: short stacking energy: -31.135 Base-Backbone interact. energy: -0.000 local terms energy: -35.079159 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.731 flat angles P-C4'-P energy: -5.566 tors. eta vs tors. theta energy: -10.211 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: 6 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -60.168288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.168288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.168288 (E_RNA) where: Base-Base interactions energy: -24.307 where: short stacking energy: -24.307 Base-Backbone interact. energy: -0.001 local terms energy: -35.860400 where: bonds (distance) C4'-P energy: -6.263 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -50.918071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.918071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.918071 (E_RNA) where: Base-Base interactions energy: -23.498 where: short stacking energy: -19.188 Base-Backbone interact. energy: -0.107 local terms energy: -27.312993 where: bonds (distance) C4'-P energy: -5.935 bonds (distance) P-C4' energy: -7.643 flat angles C4'-P-C4' energy: -5.754 flat angles P-C4'-P energy: -5.905 tors. eta vs tors. theta energy: -2.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -57.782503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.782503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.782503 (E_RNA) where: Base-Base interactions energy: -26.186 where: short stacking energy: -26.186 Base-Backbone interact. energy: -0.000 local terms energy: -31.596875 where: bonds (distance) C4'-P energy: -5.225 bonds (distance) P-C4' energy: -6.159 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -3.529 tors. eta vs tors. theta energy: -7.456 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: 6, replica: 5 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -63.976298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.976298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.976298 (E_RNA) where: Base-Base interactions energy: -31.737 where: short stacking energy: -15.569 Base-Backbone interact. energy: -0.098 local terms energy: -32.141159 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.433 flat angles P-C4'-P energy: -5.777 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: 7, replica: 7 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -46.767091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.767091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.767091 (E_RNA) where: Base-Base interactions energy: -18.528 where: short stacking energy: -14.875 Base-Backbone interact. energy: -0.017 local terms energy: -28.221947 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -4.139 flat angles P-C4'-P energy: -4.540 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: 8, replica: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -47.078985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.078985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.078985 (E_RNA) where: Base-Base interactions energy: -15.580 where: short stacking energy: -15.580 Base-Backbone interact. energy: -0.041 local terms energy: -31.458221 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.666 flat angles P-C4'-P energy: -5.957 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: 2 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -54.014222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.014222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.014222 (E_RNA) where: Base-Base interactions energy: -18.868 where: short stacking energy: -18.868 Base-Backbone interact. energy: -0.033 local terms energy: -35.113716 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -8.456 flat angles P-C4'-P energy: -5.704 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: 10, replica: 10 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -44.493479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.493479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.493479 (E_RNA) where: Base-Base interactions energy: -13.731 where: short stacking energy: -13.731 Base-Backbone interact. energy: -0.025 local terms energy: -30.737500 where: bonds (distance) C4'-P energy: -7.571 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.177 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: 1, replica: 8 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -62.463397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.463397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.463397 (E_RNA) where: Base-Base interactions energy: -25.708 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.102 local terms energy: -36.653116 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.102 flat angles P-C4'-P energy: -5.925 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: 2, replica: 4 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -52.519137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.519137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.519137 (E_RNA) where: Base-Base interactions energy: -19.876 where: short stacking energy: -19.876 Base-Backbone interact. energy: -0.092 local terms energy: -32.550695 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -7.404 tors. eta vs tors. theta energy: -0.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -63.670983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.670983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.670983 (E_RNA) where: Base-Base interactions energy: -27.364 where: short stacking energy: -27.364 Base-Backbone interact. energy: -0.005 local terms energy: -36.301777 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -5.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -58.848041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.848041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.848041 (E_RNA) where: Base-Base interactions energy: -25.846 where: short stacking energy: -25.846 Base-Backbone interact. energy: -0.020 local terms energy: -32.982080 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -8.011 flat angles C4'-P-C4' energy: -5.041 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -58.840540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.840540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.840540 (E_RNA) where: Base-Base interactions energy: -27.869 where: short stacking energy: -21.681 Base-Backbone interact. energy: -0.004 local terms energy: -30.967281 where: bonds (distance) C4'-P energy: -6.925 bonds (distance) P-C4' energy: -6.438 flat angles C4'-P-C4' energy: -8.054 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -55.213465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.213465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.213465 (E_RNA) where: Base-Base interactions energy: -23.081 where: short stacking energy: -23.043 Base-Backbone interact. energy: -0.000 local terms energy: -32.132299 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -3.922 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -49.085978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.085978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.085978 (E_RNA) where: Base-Base interactions energy: -17.007 where: short stacking energy: -17.007 Base-Backbone interact. energy: -0.004 local terms energy: -32.074861 where: bonds (distance) C4'-P energy: -6.991 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -7.334 flat angles P-C4'-P energy: -6.309 tors. eta vs tors. theta energy: -4.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -50.073895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.073895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.073895 (E_RNA) where: Base-Base interactions energy: -14.612 where: short stacking energy: -14.869 Base-Backbone interact. energy: -0.094 local terms energy: -35.368089 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.224 flat angles P-C4'-P energy: -5.727 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: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -42.153753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.153753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.153753 (E_RNA) where: Base-Base interactions energy: -14.954 where: short stacking energy: -12.519 Base-Backbone interact. energy: -0.184 local terms energy: -27.015647 where: bonds (distance) C4'-P energy: -6.586 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -4.278 tors. eta vs tors. theta energy: 0.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -40.256807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.256807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.256807 (E_RNA) where: Base-Base interactions energy: -14.173 where: short stacking energy: -14.173 Base-Backbone interact. energy: -0.002 local terms energy: -26.082405 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -5.547 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.034 tors. eta vs tors. theta energy: -2.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -63.024725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.024725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.024725 (E_RNA) where: Base-Base interactions energy: -28.311 where: short stacking energy: -28.311 Base-Backbone interact. energy: -0.085 local terms energy: -34.628480 where: bonds (distance) C4'-P energy: -7.539 bonds (distance) P-C4' energy: -6.442 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -6.262 tors. eta vs tors. theta energy: -6.987 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: 6 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -66.914294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.914294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.914294 (E_RNA) where: Base-Base interactions energy: -29.645 where: short stacking energy: -26.009 Base-Backbone interact. energy: -0.004 local terms energy: -37.265344 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -6.222 tors. eta vs tors. theta energy: -6.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -64.717113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.717113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.717113 (E_RNA) where: Base-Base interactions energy: -29.062 where: short stacking energy: -29.062 Base-Backbone interact. energy: -0.002 local terms energy: -35.652775 where: bonds (distance) C4'-P energy: -7.977 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -8.203 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: 323 Temperature: 1.050000 Total energy: -53.952482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.952482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.952482 (E_RNA) where: Base-Base interactions energy: -23.907 where: short stacking energy: -22.426 Base-Backbone interact. energy: -0.000 local terms energy: -30.044771 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -5.147 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -6.231 tors. eta vs tors. theta energy: -5.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -62.048687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.048687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.048687 (E_RNA) where: Base-Base interactions energy: -24.627 where: short stacking energy: -24.627 Base-Backbone interact. energy: -0.000 local terms energy: -37.421395 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.319 flat angles P-C4'-P energy: -5.541 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: 6, replica: 1 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -54.560692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.560692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.560692 (E_RNA) where: Base-Base interactions energy: -24.064 where: short stacking energy: -24.064 Base-Backbone interact. energy: -0.099 local terms energy: -30.397586 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -7.485 flat angles C4'-P-C4' energy: -6.966 flat angles P-C4'-P energy: -3.532 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -50.837815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.837815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.837815 (E_RNA) where: Base-Base interactions energy: -19.566 where: short stacking energy: -17.642 Base-Backbone interact. energy: -0.124 local terms energy: -31.147648 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.165 flat angles C4'-P-C4' energy: -5.868 flat angles P-C4'-P energy: -6.478 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: 8, replica: 10 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -43.599653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.599653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.599653 (E_RNA) where: Base-Base interactions energy: -17.601 where: short stacking energy: -14.070 Base-Backbone interact. energy: -0.057 local terms energy: -25.942299 where: bonds (distance) C4'-P energy: -7.361 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.776 flat angles P-C4'-P energy: -4.044 tors. eta vs tors. theta energy: -0.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -48.819435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.819435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.819435 (E_RNA) where: Base-Base interactions energy: -19.891 where: short stacking energy: -19.891 Base-Backbone interact. energy: -0.073 local terms energy: -28.855253 where: bonds (distance) C4'-P energy: -6.601 bonds (distance) P-C4' energy: -5.216 flat angles C4'-P-C4' energy: -6.069 flat angles P-C4'-P energy: -6.602 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: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -38.200915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.200915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.200915 (E_RNA) where: Base-Base interactions energy: -13.616 where: short stacking energy: -13.605 Base-Backbone interact. energy: -0.005 local terms energy: -24.579828 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -3.818 flat angles C4'-P-C4' energy: -6.786 flat angles P-C4'-P energy: -4.305 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -68.340782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.340782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.340782 (E_RNA) where: Base-Base interactions energy: -35.628 where: short stacking energy: -24.308 Base-Backbone interact. energy: -0.000 local terms energy: -32.712545 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -9.178 flat angles P-C4'-P energy: -3.771 tors. eta vs tors. theta energy: -4.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -64.898263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.898263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.898263 (E_RNA) where: Base-Base interactions energy: -29.439 where: short stacking energy: -25.555 Base-Backbone interact. energy: -0.013 local terms energy: -35.445946 where: bonds (distance) C4'-P energy: -7.261 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -9.068 flat angles P-C4'-P energy: -3.877 tors. eta vs tors. theta energy: -6.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -54.852539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.852539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.852539 (E_RNA) where: Base-Base interactions energy: -23.759 where: short stacking energy: -23.759 Base-Backbone interact. energy: -0.000 local terms energy: -31.093710 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.214 flat angles P-C4'-P energy: -2.975 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: 4, replica: 4 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -53.162791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.162791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.162791 (E_RNA) where: Base-Base interactions energy: -20.879 where: short stacking energy: -20.879 Base-Backbone interact. energy: -0.000 local terms energy: -32.283674 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.143 flat angles C4'-P-C4' energy: -7.465 flat angles P-C4'-P energy: -5.561 tors. eta vs tors. theta energy: -4.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -49.940653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.940653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.940653 (E_RNA) where: Base-Base interactions energy: -19.902 where: short stacking energy: -14.044 Base-Backbone interact. energy: -0.369 local terms energy: -29.669293 where: bonds (distance) C4'-P energy: -5.581 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -5.967 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: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -50.588342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.588342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.588342 (E_RNA) where: Base-Base interactions energy: -20.657 where: short stacking energy: -20.657 Base-Backbone interact. energy: -0.005 local terms energy: -29.926640 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.172 flat angles P-C4'-P energy: -3.039 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: 7, replica: 10 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -55.622073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.622073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.622073 (E_RNA) where: Base-Base interactions energy: -22.124 where: short stacking energy: -22.124 Base-Backbone interact. energy: -0.010 local terms energy: -33.487754 where: bonds (distance) C4'-P energy: -2.852 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -8.295 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -7.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -43.626681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.626681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.626681 (E_RNA) where: Base-Base interactions energy: -12.715 where: short stacking energy: -12.715 Base-Backbone interact. energy: -0.013 local terms energy: -30.898565 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -6.013 flat angles P-C4'-P energy: -6.218 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -48.796194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.796194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.796194 (E_RNA) where: Base-Base interactions energy: -19.090 where: short stacking energy: -19.090 Base-Backbone interact. energy: -0.013 local terms energy: -29.692923 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -2.262 tors. eta vs tors. theta energy: -2.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -40.966983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.966983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.966983 (E_RNA) where: Base-Base interactions energy: -18.688 where: short stacking energy: -18.524 Base-Backbone interact. energy: -0.037 local terms energy: -22.241979 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -2.024 flat angles P-C4'-P energy: -1.187 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: 1, replica: 8 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -63.467570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.467570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.467570 (E_RNA) where: Base-Base interactions energy: -29.086 where: short stacking energy: -20.873 Base-Backbone interact. energy: -0.001 local terms energy: -34.380031 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -7.324 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -4.031 tors. eta vs tors. theta energy: -5.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -52.274643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.274643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.274643 (E_RNA) where: Base-Base interactions energy: -23.621 where: short stacking energy: -23.621 Base-Backbone interact. energy: -0.000 local terms energy: -28.653730 where: bonds (distance) C4'-P energy: -6.184 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.192 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -2.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -56.773661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.773661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.773661 (E_RNA) where: Base-Base interactions energy: -20.618 where: short stacking energy: -17.173 Base-Backbone interact. energy: -0.008 local terms energy: -36.147700 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.437 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -50.434259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.434259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.434259 (E_RNA) where: Base-Base interactions energy: -21.713 where: short stacking energy: -21.713 Base-Backbone interact. energy: 0.007 local terms energy: -28.728220 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.357 flat angles P-C4'-P energy: -5.816 tors. eta vs tors. theta energy: -2.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -54.580135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.580135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.580135 (E_RNA) where: Base-Base interactions energy: -21.926 where: short stacking energy: -21.853 Base-Backbone interact. energy: -0.007 local terms energy: -32.647482 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -7.041 flat angles P-C4'-P energy: -5.334 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: 6, replica: 3 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -52.256211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.256211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.256211 (E_RNA) where: Base-Base interactions energy: -17.310 where: short stacking energy: -17.310 Base-Backbone interact. energy: -0.000 local terms energy: -34.946197 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -7.451 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -58.701962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.701962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.701962 (E_RNA) where: Base-Base interactions energy: -27.781 where: short stacking energy: -17.921 Base-Backbone interact. energy: -0.000 local terms energy: -30.920716 where: bonds (distance) C4'-P energy: -6.453 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -5.356 flat angles P-C4'-P energy: -5.874 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: 8, replica: 2 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -45.022960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.022960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.022960 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -17.696 Base-Backbone interact. energy: -0.037 local terms energy: -27.290013 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.117 flat angles P-C4'-P energy: -3.760 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: 9, replica: 9 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -42.881417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.881417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.881417 (E_RNA) where: Base-Base interactions energy: -18.242 where: short stacking energy: -18.242 Base-Backbone interact. energy: -0.000 local terms energy: -24.638982 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -4.888 flat angles C4'-P-C4' energy: -4.882 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -1.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -39.326404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.326404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.326404 (E_RNA) where: Base-Base interactions energy: -15.328 where: short stacking energy: -15.328 Base-Backbone interact. energy: -0.002 local terms energy: -23.996269 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -2.320 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -60.946351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.946351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.946351 (E_RNA) where: Base-Base interactions energy: -29.493 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.014 local terms energy: -31.439013 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.653 flat angles C4'-P-C4' energy: -6.301 flat angles P-C4'-P energy: -3.646 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: 2, replica: 5 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -57.899909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.899909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.899909 (E_RNA) where: Base-Base interactions energy: -24.445 where: short stacking energy: -24.445 Base-Backbone interact. energy: -0.069 local terms energy: -33.386181 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -5.864 flat angles P-C4'-P energy: -5.058 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: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -63.287461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.287461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.287461 (E_RNA) where: Base-Base interactions energy: -30.769 where: short stacking energy: -15.632 Base-Backbone interact. energy: -0.275 local terms energy: -32.243628 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -6.842 flat angles C4'-P-C4' energy: -7.168 flat angles P-C4'-P energy: -6.452 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: 4, replica: 1 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -44.002259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.002259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.002259 (E_RNA) where: Base-Base interactions energy: -15.780 where: short stacking energy: -15.780 Base-Backbone interact. energy: -0.023 local terms energy: -28.199687 where: bonds (distance) C4'-P energy: -7.678 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -2.551 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: 5, replica: 3 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -54.613227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.613227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.613227 (E_RNA) where: Base-Base interactions energy: -20.639 where: short stacking energy: -20.639 Base-Backbone interact. energy: -0.007 local terms energy: -33.966836 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.773 flat angles P-C4'-P energy: -5.431 tors. eta vs tors. theta energy: -4.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -62.121351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.121351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.121351 (E_RNA) where: Base-Base interactions energy: -30.663 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.004 local terms energy: -31.454613 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -8.243 flat angles C4'-P-C4' energy: -5.246 flat angles P-C4'-P energy: -3.463 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: 2 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -56.211644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.211644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.211644 (E_RNA) where: Base-Base interactions energy: -26.451 where: short stacking energy: -18.445 Base-Backbone interact. energy: -0.005 local terms energy: -29.755543 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -7.592 flat angles P-C4'-P energy: -2.955 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -44.340786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.340786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.340786 (E_RNA) where: Base-Base interactions energy: -19.696 where: short stacking energy: -19.696 Base-Backbone interact. energy: -0.001 local terms energy: -24.643648 where: bonds (distance) C4'-P energy: -2.261 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.378 flat angles P-C4'-P energy: -4.360 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: 9, replica: 7 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -52.432489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.432489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.432489 (E_RNA) where: Base-Base interactions energy: -22.925 where: short stacking energy: -22.925 Base-Backbone interact. energy: -0.000 local terms energy: -29.506913 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -5.358 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -5.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -43.508738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.508738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.508738 (E_RNA) where: Base-Base interactions energy: -17.595 where: short stacking energy: -17.595 Base-Backbone interact. energy: -0.100 local terms energy: -25.814227 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -5.006 tors. eta vs tors. theta energy: -1.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -67.393458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.393458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.393458 (E_RNA) where: Base-Base interactions energy: -28.297 where: short stacking energy: -28.297 Base-Backbone interact. energy: -0.000 local terms energy: -39.096491 where: bonds (distance) C4'-P energy: -7.314 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -6.388 tors. eta vs tors. theta energy: -8.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -52.984639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.984639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.984639 (E_RNA) where: Base-Base interactions energy: -20.973 where: short stacking energy: -20.973 Base-Backbone interact. energy: -0.043 local terms energy: -31.968879 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -5.919 flat angles P-C4'-P energy: -7.375 tors. eta vs tors. theta energy: -5.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -56.366781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.366781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.366781 (E_RNA) where: Base-Base interactions energy: -24.225 where: short stacking energy: -24.225 Base-Backbone interact. energy: -0.075 local terms energy: -32.066530 where: bonds (distance) C4'-P energy: -6.943 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -6.569 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -4.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -61.628955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.628955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.628955 (E_RNA) where: Base-Base interactions energy: -26.929 where: short stacking energy: -25.867 Base-Backbone interact. energy: -0.000 local terms energy: -34.699768 where: bonds (distance) C4'-P energy: -7.175 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.752 flat angles P-C4'-P energy: -4.473 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: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -48.109075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.109075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.109075 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -15.681 Base-Backbone interact. energy: -0.095 local terms energy: -31.686739 where: bonds (distance) C4'-P energy: -8.412 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -4.106 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -45.841049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.841049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.841049 (E_RNA) where: Base-Base interactions energy: -14.827 where: short stacking energy: -11.786 Base-Backbone interact. energy: -0.055 local terms energy: -30.959293 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -5.243 flat angles P-C4'-P energy: -5.652 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: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -45.306638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.306638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.306638 (E_RNA) where: Base-Base interactions energy: -17.197 where: short stacking energy: -12.980 Base-Backbone interact. energy: -0.078 local terms energy: -28.031568 where: bonds (distance) C4'-P energy: -2.645 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.921 flat angles P-C4'-P energy: -5.082 tors. eta vs tors. theta energy: -4.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -43.277029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.277029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.277029 (E_RNA) where: Base-Base interactions energy: -16.336 where: short stacking energy: -16.336 Base-Backbone interact. energy: -0.019 local terms energy: -26.921618 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -8.436 flat angles C4'-P-C4' energy: -5.683 flat angles P-C4'-P energy: -4.678 tors. eta vs tors. theta energy: -0.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -48.725290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.725290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.725290 (E_RNA) where: Base-Base interactions energy: -20.401 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.002 local terms energy: -28.322188 where: bonds (distance) C4'-P energy: -5.343 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.341 flat angles P-C4'-P energy: -2.702 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: 10, replica: 9 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -39.321398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.321398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.321398 (E_RNA) where: Base-Base interactions energy: -14.646 where: short stacking energy: -12.513 Base-Backbone interact. energy: -0.060 local terms energy: -24.615799 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.023 flat angles C4'-P-C4' energy: -4.779 flat angles P-C4'-P energy: -7.297 tors. eta vs tors. theta energy: 0.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -64.495634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.495634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.495634 (E_RNA) where: Base-Base interactions energy: -28.068 where: short stacking energy: -28.068 Base-Backbone interact. energy: -0.036 local terms energy: -36.391658 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -4.599 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: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -60.677619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.677619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.677619 (E_RNA) where: Base-Base interactions energy: -26.957 where: short stacking energy: -23.799 Base-Backbone interact. energy: -0.884 local terms energy: -32.836646 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.034 flat angles P-C4'-P energy: -3.621 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: 3, replica: 5 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -57.002069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.002069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.002069 (E_RNA) where: Base-Base interactions energy: -24.338 where: short stacking energy: -24.338 Base-Backbone interact. energy: -0.004 local terms energy: -32.660543 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -7.056 flat angles P-C4'-P energy: -5.558 tors. eta vs tors. theta energy: -6.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -58.180251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.180251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.180251 (E_RNA) where: Base-Base interactions energy: -24.869 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.000 local terms energy: -33.311517 where: bonds (distance) C4'-P energy: -7.322 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -7.416 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -6.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -50.470951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.470951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.470951 (E_RNA) where: Base-Base interactions energy: -18.712 where: short stacking energy: -18.647 Base-Backbone interact. energy: -0.083 local terms energy: -31.675904 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -8.605 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -3.599 tors. eta vs tors. theta energy: -5.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -46.867700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.867700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.867700 (E_RNA) where: Base-Base interactions energy: -15.996 where: short stacking energy: -15.584 Base-Backbone interact. energy: 0.396 local terms energy: -31.267201 where: bonds (distance) C4'-P energy: -5.655 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -45.143674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.143674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.143674 (E_RNA) where: Base-Base interactions energy: -15.220 where: short stacking energy: -4.309 Base-Backbone interact. energy: -0.057 local terms energy: -29.866634 where: bonds (distance) C4'-P energy: -7.791 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.699 flat angles P-C4'-P energy: -5.329 tors. eta vs tors. theta energy: -1.672 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -45.361559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.361559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.361559 (E_RNA) where: Base-Base interactions energy: -19.232 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.003 local terms energy: -26.127354 where: bonds (distance) C4'-P energy: -5.563 bonds (distance) P-C4' energy: -7.774 flat angles C4'-P-C4' energy: -8.225 flat angles P-C4'-P energy: -3.190 tors. eta vs tors. theta energy: -1.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -40.868626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.868626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.868626 (E_RNA) where: Base-Base interactions energy: -12.349 where: short stacking energy: -11.972 Base-Backbone interact. energy: -0.050 local terms energy: -28.469161 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.427 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: 0.714 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: 10, replica: 10 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -47.392300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.392300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.392300 (E_RNA) where: Base-Base interactions energy: -19.545 where: short stacking energy: -13.179 Base-Backbone interact. energy: -0.189 local terms energy: -27.658509 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -5.439 flat angles C4'-P-C4' energy: -6.399 flat angles P-C4'-P energy: -6.354 tors. eta vs tors. theta energy: -1.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -68.635138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.635138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.635138 (E_RNA) where: Base-Base interactions energy: -28.444 where: short stacking energy: -28.444 Base-Backbone interact. energy: -0.000 local terms energy: -40.191142 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -8.747 flat angles P-C4'-P energy: -5.814 tors. eta vs tors. theta energy: -9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -64.038670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.038670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.038670 (E_RNA) where: Base-Base interactions energy: -31.454 where: short stacking energy: -31.454 Base-Backbone interact. energy: -0.003 local terms energy: -32.582271 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -1.272 flat angles P-C4'-P energy: -4.274 tors. eta vs tors. theta energy: -8.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -53.971854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.971854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.971854 (E_RNA) where: Base-Base interactions energy: -20.783 where: short stacking energy: -20.783 Base-Backbone interact. energy: -0.048 local terms energy: -33.141451 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -5.331 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: 3 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -57.241345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.241345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.241345 (E_RNA) where: Base-Base interactions energy: -23.361 where: short stacking energy: -23.361 Base-Backbone interact. energy: 1.367 local terms energy: -35.247374 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -7.174 flat angles P-C4'-P energy: -5.402 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: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -60.191034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.191034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.191034 (E_RNA) where: Base-Base interactions energy: -29.822 where: short stacking energy: -22.861 Base-Backbone interact. energy: -0.001 local terms energy: -30.368677 where: bonds (distance) C4'-P energy: -6.040 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.647 flat angles P-C4'-P energy: -3.446 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: 6, replica: 2 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -56.902383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.902383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.902383 (E_RNA) where: Base-Base interactions energy: -22.996 where: short stacking energy: -22.996 Base-Backbone interact. energy: -0.000 local terms energy: -33.905755 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -5.769 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: 7, replica: 7 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -50.624153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.624153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.624153 (E_RNA) where: Base-Base interactions energy: -24.588 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.004 local terms energy: -26.033048 where: bonds (distance) C4'-P energy: -6.839 bonds (distance) P-C4' energy: -3.811 flat angles C4'-P-C4' energy: -3.641 flat angles P-C4'-P energy: -4.642 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: 8, replica: 9 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -43.583651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.583651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.583651 (E_RNA) where: Base-Base interactions energy: -13.507 where: short stacking energy: -13.507 Base-Backbone interact. energy: 0.264 local terms energy: -30.340545 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.198 flat angles P-C4'-P energy: -5.842 tors. eta vs tors. theta energy: -4.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -45.615853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.615853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.615853 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.607 Base-Backbone interact. energy: -0.137 local terms energy: -28.813137 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.477 flat angles C4'-P-C4' energy: -4.740 flat angles P-C4'-P energy: -4.996 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: 10 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -45.648627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.648627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.648627 (E_RNA) where: Base-Base interactions energy: -20.049 where: short stacking energy: -8.578 Base-Backbone interact. energy: -0.035 local terms energy: -25.564351 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.810 flat angles P-C4'-P energy: -3.206 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -60.942720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.942720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.942720 (E_RNA) where: Base-Base interactions energy: -24.088 where: short stacking energy: -24.088 Base-Backbone interact. energy: -0.025 local terms energy: -36.829117 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -7.960 flat angles P-C4'-P energy: -4.935 tors. eta vs tors. theta energy: -7.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -58.198804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.198804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.198804 (E_RNA) where: Base-Base interactions energy: -23.823 where: short stacking energy: -23.235 Base-Backbone interact. energy: -0.000 local terms energy: -34.375928 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.699 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -3.876 tors. eta vs tors. theta energy: -6.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -55.708138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.708138 (E_RNA) where: Base-Base interactions energy: -23.310 where: short stacking energy: -23.310 Base-Backbone interact. energy: -0.000 local terms energy: -32.398219 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.878 flat angles P-C4'-P energy: -0.625 tors. eta vs tors. theta energy: -8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -56.195731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.195731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.195731 (E_RNA) where: Base-Base interactions energy: -29.445 where: short stacking energy: -20.729 Base-Backbone interact. energy: -0.000 local terms energy: -26.750092 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -4.045 flat angles P-C4'-P energy: -4.783 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: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -53.005526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.005526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.005526 (E_RNA) where: Base-Base interactions energy: -22.866 where: short stacking energy: -22.866 Base-Backbone interact. energy: -0.005 local terms energy: -30.134762 where: bonds (distance) C4'-P energy: -4.010 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -5.701 tors. eta vs tors. theta energy: -5.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -50.246121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.246121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.246121 (E_RNA) where: Base-Base interactions energy: -22.618 where: short stacking energy: -22.618 Base-Backbone interact. energy: -0.039 local terms energy: -27.588931 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -1.746 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: 330 Temperature: 1.200000 Total energy: -46.285742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.285742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.285742 (E_RNA) where: Base-Base interactions energy: -19.140 where: short stacking energy: -16.692 Base-Backbone interact. energy: -0.437 local terms energy: -26.709317 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.564 flat angles P-C4'-P energy: -5.210 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: 8, replica: 7 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -44.733906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.733906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.733906 (E_RNA) where: Base-Base interactions energy: -14.661 where: short stacking energy: -14.243 Base-Backbone interact. energy: -0.087 local terms energy: -29.985661 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.667 flat angles P-C4'-P energy: -6.150 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: 9, replica: 4 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -48.149756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.149756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.149756 (E_RNA) where: Base-Base interactions energy: -19.086 where: short stacking energy: -19.086 Base-Backbone interact. energy: -0.008 local terms energy: -29.055753 where: bonds (distance) C4'-P energy: -4.136 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -6.027 flat angles P-C4'-P energy: -6.738 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: 10 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -44.215446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.215446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.215446 (E_RNA) where: Base-Base interactions energy: -16.359 where: short stacking energy: -16.359 Base-Backbone interact. energy: -0.039 local terms energy: -27.818117 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -5.839 flat angles C4'-P-C4' energy: -7.205 flat angles P-C4'-P energy: -4.634 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -68.733694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.733694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.733694 (E_RNA) where: Base-Base interactions energy: -33.466 where: short stacking energy: -33.466 Base-Backbone interact. energy: -0.014 local terms energy: -35.253080 where: bonds (distance) C4'-P energy: -7.253 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -4.405 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -9.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -62.078073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.078073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.078073 (E_RNA) where: Base-Base interactions energy: -28.210 where: short stacking energy: -21.058 Base-Backbone interact. energy: -0.012 local terms energy: -33.855937 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.305 flat angles P-C4'-P energy: -6.366 tors. eta vs tors. theta energy: -3.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -54.571168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.571168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.571168 (E_RNA) where: Base-Base interactions energy: -21.813 where: short stacking energy: -19.523 Base-Backbone interact. energy: -0.079 local terms energy: -32.678804 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.973 flat angles P-C4'-P energy: -6.014 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: 4, replica: 1 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -59.155007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.155007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.155007 (E_RNA) where: Base-Base interactions energy: -22.680 where: short stacking energy: -22.680 Base-Backbone interact. energy: -0.000 local terms energy: -36.475418 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -8.262 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -5.416 tors. eta vs tors. theta energy: -7.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -55.253148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.253148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.253148 (E_RNA) where: Base-Base interactions energy: -21.015 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.000 local terms energy: -34.238324 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -6.641 flat angles P-C4'-P energy: -3.129 tors. eta vs tors. theta energy: -8.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -42.579956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.579956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.579956 (E_RNA) where: Base-Base interactions energy: -26.081 where: short stacking energy: -18.804 Base-Backbone interact. energy: 1.384 local terms energy: -17.883518 where: bonds (distance) C4'-P energy: -3.701 bonds (distance) P-C4' energy: -5.573 flat angles C4'-P-C4' energy: -4.759 flat angles P-C4'-P energy: -5.113 tors. eta vs tors. theta energy: 1.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -47.422567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.422567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.422567 (E_RNA) where: Base-Base interactions energy: -13.512 where: short stacking energy: -13.512 Base-Backbone interact. energy: -0.065 local terms energy: -33.845535 where: bonds (distance) C4'-P energy: -4.524 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -7.805 tors. eta vs tors. theta energy: -5.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -57.438126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.438126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.438126 (E_RNA) where: Base-Base interactions energy: -25.962 where: short stacking energy: -16.820 Base-Backbone interact. energy: -0.114 local terms energy: -31.361908 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.484 flat angles P-C4'-P energy: -5.961 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: 9, replica: 7 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -47.225590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.225590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.225590 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.142 local terms energy: -28.630225 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -2.032 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: 10 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -43.353050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.353050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.353050 (E_RNA) where: Base-Base interactions energy: -15.235 where: short stacking energy: -10.397 Base-Backbone interact. energy: -0.014 local terms energy: -28.103862 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.775 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -4.274 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: 1, replica: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -63.670208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.670208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.670208 (E_RNA) where: Base-Base interactions energy: -25.519 where: short stacking energy: -25.519 Base-Backbone interact. energy: -0.008 local terms energy: -38.143360 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -5.479 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: 2, replica: 3 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -62.315413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.315413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.315413 (E_RNA) where: Base-Base interactions energy: -31.523 where: short stacking energy: -18.344 Base-Backbone interact. energy: -0.001 local terms energy: -30.791798 where: bonds (distance) C4'-P energy: -5.486 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -6.243 tors. eta vs tors. theta energy: -2.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -56.961772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.961772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.961772 (E_RNA) where: Base-Base interactions energy: -30.252 where: short stacking energy: -22.039 Base-Backbone interact. energy: -0.039 local terms energy: -26.670907 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.618 flat angles C4'-P-C4' energy: -8.497 flat angles P-C4'-P energy: -3.334 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: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -54.253860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.253860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.253860 (E_RNA) where: Base-Base interactions energy: -25.682 where: short stacking energy: -15.654 Base-Backbone interact. energy: -0.810 local terms energy: -27.762464 where: bonds (distance) C4'-P energy: -5.845 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -8.860 flat angles P-C4'-P energy: -4.544 tors. eta vs tors. theta energy: 1.069 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: 5, replica: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -50.689039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.689039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.689039 (E_RNA) where: Base-Base interactions energy: -22.948 where: short stacking energy: -22.737 Base-Backbone interact. energy: -0.000 local terms energy: -27.740367 where: bonds (distance) C4'-P energy: -6.718 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -2.504 tors. eta vs tors. theta energy: -3.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -52.860918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.860918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.860918 (E_RNA) where: Base-Base interactions energy: -28.691 where: short stacking energy: -16.191 Base-Backbone interact. energy: -0.035 local terms energy: -24.134938 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -6.523 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -48.672979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.672979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.672979 (E_RNA) where: Base-Base interactions energy: -21.107 where: short stacking energy: -21.107 Base-Backbone interact. energy: -0.006 local terms energy: -27.559863 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -4.380 flat angles P-C4'-P energy: -5.577 tors. eta vs tors. theta energy: -2.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -45.317192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.317192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.317192 (E_RNA) where: Base-Base interactions energy: -18.592 where: short stacking energy: -18.592 Base-Backbone interact. energy: -0.012 local terms energy: -26.713033 where: bonds (distance) C4'-P energy: -6.743 bonds (distance) P-C4' energy: -3.232 flat angles C4'-P-C4' energy: -8.310 flat angles P-C4'-P energy: -5.675 tors. eta vs tors. theta energy: -2.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -50.818211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.818211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.818211 (E_RNA) where: Base-Base interactions energy: -21.463 where: short stacking energy: -12.648 Base-Backbone interact. energy: -0.102 local terms energy: -29.253184 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -6.787 flat angles C4'-P-C4' energy: -5.962 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -2.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -40.882596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.882596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.882596 (E_RNA) where: Base-Base interactions energy: -11.848 where: short stacking energy: -11.439 Base-Backbone interact. energy: -0.003 local terms energy: -29.032042 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -5.387 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -66.985542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.985542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.985542 (E_RNA) where: Base-Base interactions energy: -29.752 where: short stacking energy: -29.752 Base-Backbone interact. energy: -0.099 local terms energy: -37.134077 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.302 flat angles P-C4'-P energy: -4.871 tors. eta vs tors. theta energy: -8.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -57.088789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.088789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.088789 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -24.428 Base-Backbone interact. energy: -0.138 local terms energy: -32.522842 where: bonds (distance) C4'-P energy: -4.024 bonds (distance) P-C4' energy: -8.364 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -6.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -57.894776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.894776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.894776 (E_RNA) where: Base-Base interactions energy: -24.077 where: short stacking energy: -24.077 Base-Backbone interact. energy: -0.002 local terms energy: -33.815460 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -6.953 flat angles P-C4'-P energy: -6.365 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: 4, replica: 5 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -64.745970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.745970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.745970 (E_RNA) where: Base-Base interactions energy: -33.169 where: short stacking energy: -31.799 Base-Backbone interact. energy: -0.004 local terms energy: -31.572855 where: bonds (distance) C4'-P energy: -5.584 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -4.955 flat angles P-C4'-P energy: -5.035 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -56.418462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.418462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.418462 (E_RNA) where: Base-Base interactions energy: -26.743 where: short stacking energy: -10.788 Base-Backbone interact. energy: -0.225 local terms energy: -29.451275 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -5.468 tors. eta vs tors. theta energy: -0.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -66.199440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.199440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.199440 (E_RNA) where: Base-Base interactions energy: -27.977 where: short stacking energy: -27.977 Base-Backbone interact. energy: 0.174 local terms energy: -38.396187 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -7.032 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -6.672 tors. eta vs tors. theta energy: -10.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -46.432795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.432795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.432795 (E_RNA) where: Base-Base interactions energy: -16.244 where: short stacking energy: -16.244 Base-Backbone interact. energy: -0.002 local terms energy: -30.186695 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.084 flat angles C4'-P-C4' energy: -7.071 flat angles P-C4'-P energy: -4.880 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: 8, replica: 10 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -40.899613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.899613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.899613 (E_RNA) where: Base-Base interactions energy: -9.687 where: short stacking energy: -9.687 Base-Backbone interact. energy: -0.103 local terms energy: -31.109547 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.425 flat angles P-C4'-P energy: -5.711 tors. eta vs tors. theta energy: -2.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -40.457712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.457712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.457712 (E_RNA) where: Base-Base interactions energy: -15.784 where: short stacking energy: -15.784 Base-Backbone interact. energy: -0.002 local terms energy: -24.672341 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -3.349 flat angles P-C4'-P energy: -3.475 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -42.685329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.685329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.685329 (E_RNA) where: Base-Base interactions energy: -16.347 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.049 local terms energy: -26.289015 where: bonds (distance) C4'-P energy: -6.867 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.374 flat angles P-C4'-P energy: -4.465 tors. eta vs tors. theta energy: -0.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -64.805417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.805417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.805417 (E_RNA) where: Base-Base interactions energy: -29.571 where: short stacking energy: -29.571 Base-Backbone interact. energy: -0.008 local terms energy: -35.225909 where: bonds (distance) C4'-P energy: -4.861 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -5.228 tors. eta vs tors. theta energy: -8.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -65.524879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.524879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.524879 (E_RNA) where: Base-Base interactions energy: -36.763 where: short stacking energy: -21.083 Base-Backbone interact. energy: -0.038 local terms energy: -28.724406 where: bonds (distance) C4'-P energy: -3.836 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -6.783 flat angles P-C4'-P energy: -5.378 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: 3, replica: 5 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -62.191405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.191405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.191405 (E_RNA) where: Base-Base interactions energy: -28.135 where: short stacking energy: -28.135 Base-Backbone interact. energy: -0.000 local terms energy: -34.055877 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -3.653 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: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -65.099781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.099781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.099781 (E_RNA) where: Base-Base interactions energy: -31.499 where: short stacking energy: -26.933 Base-Backbone interact. energy: -0.006 local terms energy: -33.594530 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.934 flat angles P-C4'-P energy: -1.994 tors. eta vs tors. theta energy: -7.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -53.065933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.065933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.065933 (E_RNA) where: Base-Base interactions energy: -22.897 where: short stacking energy: -22.696 Base-Backbone interact. energy: 0.543 local terms energy: -30.711523 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -5.709 flat angles P-C4'-P energy: -4.523 tors. eta vs tors. theta energy: -5.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -54.768882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.768882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.768882 (E_RNA) where: Base-Base interactions energy: -23.582 where: short stacking energy: -23.582 Base-Backbone interact. energy: -0.004 local terms energy: -31.183177 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -6.493 flat angles P-C4'-P energy: -5.660 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: 7, replica: 10 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -50.165067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.165067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.165067 (E_RNA) where: Base-Base interactions energy: -24.010 where: short stacking energy: -14.231 Base-Backbone interact. energy: -0.005 local terms energy: -26.149532 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -5.763 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -3.597 tors. eta vs tors. theta energy: -1.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -50.267541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.267541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.267541 (E_RNA) where: Base-Base interactions energy: -19.258 where: short stacking energy: -19.258 Base-Backbone interact. energy: -0.021 local terms energy: -30.988621 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -7.892 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -4.264 tors. eta vs tors. theta energy: -4.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -43.630328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.630328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.630328 (E_RNA) where: Base-Base interactions energy: -20.822 where: short stacking energy: -17.050 Base-Backbone interact. energy: -0.013 local terms energy: -22.794661 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -4.463 flat angles C4'-P-C4' energy: -4.582 flat angles P-C4'-P energy: -1.525 tors. eta vs tors. theta energy: -4.040 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: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -40.147201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.147201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.147201 (E_RNA) where: Base-Base interactions energy: -18.656 where: short stacking energy: -19.456 Base-Backbone interact. energy: -0.024 local terms energy: -21.466966 where: bonds (distance) C4'-P energy: -2.177 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.012 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: 0.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -67.859928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.859928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.859928 (E_RNA) where: Base-Base interactions energy: -33.703 where: short stacking energy: -23.088 Base-Backbone interact. energy: 0.136 local terms energy: -34.293390 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.809 flat angles P-C4'-P energy: -5.625 tors. eta vs tors. theta energy: -4.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -59.925846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.925846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.925846 (E_RNA) where: Base-Base interactions energy: -21.057 where: short stacking energy: -21.057 Base-Backbone interact. energy: -0.099 local terms energy: -38.769633 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -6.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -60.704416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.704416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.704416 (E_RNA) where: Base-Base interactions energy: -24.921 where: short stacking energy: -24.921 Base-Backbone interact. energy: -0.023 local terms energy: -35.761211 where: bonds (distance) C4'-P energy: -6.227 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.413 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -5.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -54.448161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.448161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.448161 (E_RNA) where: Base-Base interactions energy: -18.382 where: short stacking energy: -18.382 Base-Backbone interact. energy: -0.012 local terms energy: -36.054490 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -5.559 tors. eta vs tors. theta energy: -5.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -50.122815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.122815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.122815 (E_RNA) where: Base-Base interactions energy: -23.809 where: short stacking energy: -19.515 Base-Backbone interact. energy: -0.019 local terms energy: -26.294887 where: bonds (distance) C4'-P energy: -3.826 bonds (distance) P-C4' energy: -4.181 flat angles C4'-P-C4' energy: -7.698 flat angles P-C4'-P energy: -4.395 tors. eta vs tors. theta energy: -6.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -44.145094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.145094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.145094 (E_RNA) where: Base-Base interactions energy: -16.880 where: short stacking energy: -16.688 Base-Backbone interact. energy: 0.912 local terms energy: -28.177351 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.325 flat angles P-C4'-P energy: -3.015 tors. eta vs tors. theta energy: -4.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -47.765390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.765390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.765390 (E_RNA) where: Base-Base interactions energy: -22.255 where: short stacking energy: -22.255 Base-Backbone interact. energy: -0.001 local terms energy: -25.509599 where: bonds (distance) C4'-P energy: -5.336 bonds (distance) P-C4' energy: -8.523 flat angles C4'-P-C4' energy: -2.781 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: -4.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -51.179541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.179541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.179541 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -18.480 Base-Backbone interact. energy: -0.038 local terms energy: -31.789451 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -4.572 tors. eta vs tors. theta energy: -3.227 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: 9 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -50.507678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.507678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.507678 (E_RNA) where: Base-Base interactions energy: -19.891 where: short stacking energy: -19.891 Base-Backbone interact. energy: -0.001 local terms energy: -30.616085 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.106 flat angles P-C4'-P energy: -4.498 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: 335 Temperature: 1.350000 Total energy: -43.400809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.400809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.400809 (E_RNA) where: Base-Base interactions energy: -15.202 where: short stacking energy: -15.202 Base-Backbone interact. energy: -0.008 local terms energy: -28.191467 where: bonds (distance) C4'-P energy: -4.542 bonds (distance) P-C4' energy: -7.665 flat angles C4'-P-C4' energy: -8.491 flat angles P-C4'-P energy: -3.563 tors. eta vs tors. theta energy: -3.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -66.893222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.893222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.893222 (E_RNA) where: Base-Base interactions energy: -30.918 where: short stacking energy: -30.918 Base-Backbone interact. energy: -0.000 local terms energy: -35.974891 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -6.299 flat angles P-C4'-P energy: -3.705 tors. eta vs tors. theta energy: -7.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -65.555105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.555105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.555105 (E_RNA) where: Base-Base interactions energy: -35.400 where: short stacking energy: -15.915 Base-Backbone interact. energy: -0.053 local terms energy: -30.102604 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: -3.612 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: 3, replica: 4 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -63.081320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.081320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.081320 (E_RNA) where: Base-Base interactions energy: -25.550 where: short stacking energy: -25.550 Base-Backbone interact. energy: -0.050 local terms energy: -37.481590 where: bonds (distance) C4'-P energy: -6.376 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -7.830 tors. eta vs tors. theta energy: -5.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -51.778750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.778750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.778750 (E_RNA) where: Base-Base interactions energy: -19.341 where: short stacking energy: -19.341 Base-Backbone interact. energy: -0.000 local terms energy: -32.437275 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -7.750 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -3.110 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: 5, replica: 8 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -52.477148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.477148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.477148 (E_RNA) where: Base-Base interactions energy: -24.236 where: short stacking energy: -24.236 Base-Backbone interact. energy: -0.011 local terms energy: -28.229845 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -6.427 flat angles P-C4'-P energy: -4.372 tors. eta vs tors. theta energy: -3.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -50.850214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.850214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.850214 (E_RNA) where: Base-Base interactions energy: -23.893 where: short stacking energy: -12.849 Base-Backbone interact. energy: -0.560 local terms energy: -26.397111 where: bonds (distance) C4'-P energy: -4.413 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -7.062 flat angles P-C4'-P energy: -5.040 tors. eta vs tors. theta energy: -1.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -48.252350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.252350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.252350 (E_RNA) where: Base-Base interactions energy: -18.611 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.000 local terms energy: -29.641230 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -8.024 flat angles P-C4'-P energy: -2.141 tors. eta vs tors. theta energy: -2.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -41.579561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.579561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.579561 (E_RNA) where: Base-Base interactions energy: -8.574 where: short stacking energy: -8.574 Base-Backbone interact. energy: -0.858 local terms energy: -32.147367 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.350 flat angles P-C4'-P energy: -5.062 tors. eta vs tors. theta energy: -1.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -50.048845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.048845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.048845 (E_RNA) where: Base-Base interactions energy: -16.407 where: short stacking energy: -16.407 Base-Backbone interact. energy: -0.003 local terms energy: -33.638537 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -5.528 tors. eta vs tors. theta energy: -4.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -42.992080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.992080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.992080 (E_RNA) where: Base-Base interactions energy: -15.929 where: short stacking energy: -15.929 Base-Backbone interact. energy: 0.415 local terms energy: -27.477784 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -7.753 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -1.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -56.740329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.740329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.740329 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -21.522 Base-Backbone interact. energy: -0.001 local terms energy: -35.216565 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.486 flat angles P-C4'-P energy: -6.526 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: 2, replica: 4 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -59.015033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.015033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.015033 (E_RNA) where: Base-Base interactions energy: -22.571 where: short stacking energy: -22.571 Base-Backbone interact. energy: 0.354 local terms energy: -36.798512 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -6.889 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: 1 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -67.080810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.080810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.080810 (E_RNA) where: Base-Base interactions energy: -26.820 where: short stacking energy: -26.820 Base-Backbone interact. energy: -0.000 local terms energy: -40.260976 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -9.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -55.743626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.743626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.743626 (E_RNA) where: Base-Base interactions energy: -25.426 where: short stacking energy: -25.426 Base-Backbone interact. energy: -0.000 local terms energy: -30.317507 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -4.326 flat angles P-C4'-P energy: -4.594 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -58.924528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.924528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.924528 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -26.084 Base-Backbone interact. energy: -0.001 local terms energy: -32.839892 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.420 flat angles C4'-P-C4' energy: -5.088 flat angles P-C4'-P energy: -3.953 tors. eta vs tors. theta energy: -9.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -46.845946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.845946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.845946 (E_RNA) where: Base-Base interactions energy: -20.751 where: short stacking energy: -20.751 Base-Backbone interact. energy: -0.068 local terms energy: -26.027435 where: bonds (distance) C4'-P energy: -2.624 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -7.701 flat angles P-C4'-P energy: -4.536 tors. eta vs tors. theta energy: -4.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -47.889209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.889209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.889209 (E_RNA) where: Base-Base interactions energy: -20.243 where: short stacking energy: -20.243 Base-Backbone interact. energy: -0.071 local terms energy: -27.575738 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -6.989 flat angles P-C4'-P energy: -3.039 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: 8, replica: 2 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -44.568777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.568777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.568777 (E_RNA) where: Base-Base interactions energy: -14.830 where: short stacking energy: -14.830 Base-Backbone interact. energy: -0.023 local terms energy: -29.715500 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -5.570 flat angles P-C4'-P energy: -6.937 tors. eta vs tors. theta energy: -1.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -47.522063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.522063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.522063 (E_RNA) where: Base-Base interactions energy: -19.935 where: short stacking energy: -19.935 Base-Backbone interact. energy: -0.041 local terms energy: -27.545771 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.595 flat angles P-C4'-P energy: -1.516 tors. eta vs tors. theta energy: -4.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -38.129534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.129534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.129534 (E_RNA) where: Base-Base interactions energy: -13.706 where: short stacking energy: -10.692 Base-Backbone interact. energy: -0.522 local terms energy: -23.900712 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.625 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -0.369 tors. eta vs tors. theta energy: -0.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -54.343214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.343214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.343214 (E_RNA) where: Base-Base interactions energy: -22.952 where: short stacking energy: -22.952 Base-Backbone interact. energy: -0.064 local terms energy: -31.327533 where: bonds (distance) C4'-P energy: -5.667 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -3.502 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -62.397671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.397671 (E_RNA) where: Base-Base interactions energy: -29.652 where: short stacking energy: -29.652 Base-Backbone interact. energy: -0.002 local terms energy: -32.744020 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.420 flat angles P-C4'-P energy: -4.109 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: 3, replica: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -60.202374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.202374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.202374 (E_RNA) where: Base-Base interactions energy: -24.619 where: short stacking energy: -23.737 Base-Backbone interact. energy: -0.003 local terms energy: -35.580025 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -6.059 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -5.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -53.081759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.081759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.081759 (E_RNA) where: Base-Base interactions energy: -18.536 where: short stacking energy: -18.536 Base-Backbone interact. energy: -0.031 local terms energy: -34.514738 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -5.330 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: 5, replica: 10 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -54.412049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.412049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.412049 (E_RNA) where: Base-Base interactions energy: -20.417 where: short stacking energy: -20.417 Base-Backbone interact. energy: -0.031 local terms energy: -33.964389 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -4.576 flat angles C4'-P-C4' energy: -7.896 flat angles P-C4'-P energy: -6.486 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -49.398754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.398754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.398754 (E_RNA) where: Base-Base interactions energy: -15.151 where: short stacking energy: -15.151 Base-Backbone interact. energy: -0.001 local terms energy: -34.247405 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.661 flat angles P-C4'-P energy: -6.341 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: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -54.680665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.680665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.680665 (E_RNA) where: Base-Base interactions energy: -24.206 where: short stacking energy: -12.063 Base-Backbone interact. energy: -0.045 local terms energy: -30.429507 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.319 flat angles P-C4'-P energy: -2.748 tors. eta vs tors. theta energy: -2.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -53.239853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.239853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.239853 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -21.307 Base-Backbone interact. energy: -0.065 local terms energy: -31.868076 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -6.259 flat angles C4'-P-C4' energy: -5.223 flat angles P-C4'-P energy: -6.067 tors. eta vs tors. theta energy: -5.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -40.676935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.676935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.676935 (E_RNA) where: Base-Base interactions energy: -13.497 where: short stacking energy: -13.497 Base-Backbone interact. energy: -0.059 local terms energy: -27.120729 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.158 flat angles P-C4'-P energy: -5.535 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -47.590411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.590411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.590411 (E_RNA) where: Base-Base interactions energy: -16.760 where: short stacking energy: -16.760 Base-Backbone interact. energy: -0.000 local terms energy: -30.830021 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.417 flat angles C4'-P-C4' energy: -6.054 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -6.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -63.120677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.120677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.120677 (E_RNA) where: Base-Base interactions energy: -33.456 where: short stacking energy: -20.770 Base-Backbone interact. energy: -0.059 local terms energy: -29.606192 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.498 flat angles P-C4'-P energy: -4.671 tors. eta vs tors. theta energy: -2.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -64.143945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.143945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.143945 (E_RNA) where: Base-Base interactions energy: -35.905 where: short stacking energy: -25.265 Base-Backbone interact. energy: -0.078 local terms energy: -28.161188 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -2.749 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -55.242930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.242930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.242930 (E_RNA) where: Base-Base interactions energy: -22.496 where: short stacking energy: -22.496 Base-Backbone interact. energy: -0.003 local terms energy: -32.743549 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -3.012 tors. eta vs tors. theta energy: -5.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -50.097119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.097119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.097119 (E_RNA) where: Base-Base interactions energy: -19.270 where: short stacking energy: -19.270 Base-Backbone interact. energy: -0.008 local terms energy: -30.818750 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.936 flat angles P-C4'-P energy: -3.773 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: 5, replica: 8 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -58.030253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.030253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.030253 (E_RNA) where: Base-Base interactions energy: -25.478 where: short stacking energy: -25.478 Base-Backbone interact. energy: -0.000 local terms energy: -32.552284 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -6.529 flat angles C4'-P-C4' energy: -6.915 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -59.285709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.285709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.285709 (E_RNA) where: Base-Base interactions energy: -25.755 where: short stacking energy: -24.902 Base-Backbone interact. energy: -0.000 local terms energy: -33.530522 where: bonds (distance) C4'-P energy: -4.615 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -8.285 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -7.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -47.695242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.695242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.695242 (E_RNA) where: Base-Base interactions energy: -22.235 where: short stacking energy: -18.455 Base-Backbone interact. energy: -0.089 local terms energy: -25.371549 where: bonds (distance) C4'-P energy: -5.460 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -6.308 flat angles P-C4'-P energy: -3.456 tors. eta vs tors. theta energy: -1.053 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: 8, replica: 9 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -43.860448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.860448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.860448 (E_RNA) where: Base-Base interactions energy: -16.912 where: short stacking energy: -16.912 Base-Backbone interact. energy: -0.008 local terms energy: -26.940660 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -3.905 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: 9, replica: 2 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -45.371925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.371925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.371925 (E_RNA) where: Base-Base interactions energy: -19.139 where: short stacking energy: -16.909 Base-Backbone interact. energy: -0.035 local terms energy: -26.198429 where: bonds (distance) C4'-P energy: -3.282 bonds (distance) P-C4' energy: -7.242 flat angles C4'-P-C4' energy: -7.323 flat angles P-C4'-P energy: -4.867 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: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -45.801493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.801493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.801493 (E_RNA) where: Base-Base interactions energy: -18.238 where: short stacking energy: -18.238 Base-Backbone interact. energy: -0.106 local terms energy: -27.457045 where: bonds (distance) C4'-P energy: -5.788 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -2.014 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: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -64.635383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.635383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.635383 (E_RNA) where: Base-Base interactions energy: -28.198 where: short stacking energy: -28.198 Base-Backbone interact. energy: -0.000 local terms energy: -36.437372 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -6.048 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -6.774 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: 2, replica: 4 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -76.136888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.136888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.136888 (E_RNA) where: Base-Base interactions energy: -36.510 where: short stacking energy: -33.532 Base-Backbone interact. energy: -0.011 local terms energy: -39.615819 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -6.550 flat angles P-C4'-P energy: -6.561 tors. eta vs tors. theta energy: -10.506 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: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -55.068300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.068300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.068300 (E_RNA) where: Base-Base interactions energy: -22.055 where: short stacking energy: -22.055 Base-Backbone interact. energy: -0.006 local terms energy: -33.007484 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -3.944 flat angles C4'-P-C4' energy: -9.674 flat angles P-C4'-P energy: -6.841 tors. eta vs tors. theta energy: -4.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -55.637693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.637693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.637693 (E_RNA) where: Base-Base interactions energy: -23.648 where: short stacking energy: -23.406 Base-Backbone interact. energy: -0.013 local terms energy: -31.976890 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -3.436 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: 5, replica: 3 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -46.741243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.741243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.741243 (E_RNA) where: Base-Base interactions energy: -22.417 where: short stacking energy: -12.009 Base-Backbone interact. energy: -0.288 local terms energy: -24.036685 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -4.594 flat angles C4'-P-C4' energy: -4.497 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -0.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -51.758803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.758803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.758803 (E_RNA) where: Base-Base interactions energy: -17.556 where: short stacking energy: -17.556 Base-Backbone interact. energy: -0.000 local terms energy: -34.202849 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -6.499 flat angles P-C4'-P energy: -4.624 tors. eta vs tors. theta energy: -7.233 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: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -45.810583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.810583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.810583 (E_RNA) where: Base-Base interactions energy: -12.467 where: short stacking energy: -12.467 Base-Backbone interact. energy: -0.000 local terms energy: -33.343651 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -5.861 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: 6 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -45.189731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.189731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.189731 (E_RNA) where: Base-Base interactions energy: -16.496 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.030 local terms energy: -28.664507 where: bonds (distance) C4'-P energy: -6.466 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.549 flat angles P-C4'-P energy: -3.717 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: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -41.752687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.752687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.752687 (E_RNA) where: Base-Base interactions energy: -14.709 where: short stacking energy: -14.221 Base-Backbone interact. energy: -0.094 local terms energy: -26.949370 where: bonds (distance) C4'-P energy: -8.727 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -4.390 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: 10, replica: 2 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -41.453812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.453812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.453812 (E_RNA) where: Base-Base interactions energy: -16.362 where: short stacking energy: -16.362 Base-Backbone interact. energy: -0.080 local terms energy: -25.011896 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.814 flat angles P-C4'-P energy: -0.946 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -79.859295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.859295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.859295 (E_RNA) where: Base-Base interactions energy: -43.420 where: short stacking energy: -25.614 Base-Backbone interact. energy: -0.002 local terms energy: -36.437583 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -72.108891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.108891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.108891 (E_RNA) where: Base-Base interactions energy: -32.947 where: short stacking energy: -27.476 Base-Backbone interact. energy: -0.000 local terms energy: -39.162084 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -6.195 tors. eta vs tors. theta energy: -9.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -62.422836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.422836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.422836 (E_RNA) where: Base-Base interactions energy: -24.517 where: short stacking energy: -24.517 Base-Backbone interact. energy: -0.034 local terms energy: -37.871664 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -6.578 flat angles P-C4'-P energy: -6.034 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -53.644481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.644481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.644481 (E_RNA) where: Base-Base interactions energy: -23.161 where: short stacking energy: -23.161 Base-Backbone interact. energy: -0.005 local terms energy: -30.478521 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -5.898 flat angles C4'-P-C4' energy: -6.313 flat angles P-C4'-P energy: -6.455 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: 5, replica: 5 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -66.951748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.951748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.951748 (E_RNA) where: Base-Base interactions energy: -33.322 where: short stacking energy: -26.639 Base-Backbone interact. energy: -0.001 local terms energy: -33.628519 where: bonds (distance) C4'-P energy: -5.307 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -4.873 tors. eta vs tors. theta energy: -8.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -62.439037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.439037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.439037 (E_RNA) where: Base-Base interactions energy: -27.604 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.000 local terms energy: -34.835021 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.398 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -7.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -52.993706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.993706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.993706 (E_RNA) where: Base-Base interactions energy: -21.651 where: short stacking energy: -21.310 Base-Backbone interact. energy: -0.001 local terms energy: -31.340882 where: bonds (distance) C4'-P energy: -3.515 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.177 flat angles P-C4'-P energy: -6.289 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: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -45.265280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.265280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.265280 (E_RNA) where: Base-Base interactions energy: -20.185 where: short stacking energy: -20.185 Base-Backbone interact. energy: -0.004 local terms energy: -25.076080 where: bonds (distance) C4'-P energy: -7.686 bonds (distance) P-C4' energy: -6.008 flat angles C4'-P-C4' energy: -5.129 flat angles P-C4'-P energy: -3.949 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: 341 Temperature: 1.300000 Total energy: -42.724596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.724596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.724596 (E_RNA) where: Base-Base interactions energy: -15.589 where: short stacking energy: -15.015 Base-Backbone interact. energy: -0.031 local terms energy: -27.104495 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -6.659 flat angles P-C4'-P energy: -3.605 tors. eta vs tors. theta energy: -0.497 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: 2 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -38.303739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.303739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.303739 (E_RNA) where: Base-Base interactions energy: -15.099 where: short stacking energy: -11.700 Base-Backbone interact. energy: -0.101 local terms energy: -23.103420 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -3.168 flat angles P-C4'-P energy: -2.525 tors. eta vs tors. theta energy: -0.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -67.640976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.640976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.640976 (E_RNA) where: Base-Base interactions energy: -39.316 where: short stacking energy: -25.498 Base-Backbone interact. energy: -0.019 local terms energy: -28.305951 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.291 flat angles C4'-P-C4' energy: -4.167 flat angles P-C4'-P energy: -5.600 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: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -81.023059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.023059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.023059 (E_RNA) where: Base-Base interactions energy: -45.707 where: short stacking energy: -25.969 Base-Backbone interact. energy: -0.002 local terms energy: -35.314130 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -5.793 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -6.174 tors. eta vs tors. theta energy: -7.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -60.217751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.217751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.217751 (E_RNA) where: Base-Base interactions energy: -23.205 where: short stacking energy: -23.205 Base-Backbone interact. energy: -0.001 local terms energy: -37.011514 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.585 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -5.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -58.464843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.464843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.464843 (E_RNA) where: Base-Base interactions energy: -24.404 where: short stacking energy: -24.404 Base-Backbone interact. energy: 0.432 local terms energy: -34.492372 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -7.402 flat angles P-C4'-P energy: -6.289 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: 5, replica: 9 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -52.829302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.829302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.829302 (E_RNA) where: Base-Base interactions energy: -19.025 where: short stacking energy: -19.025 Base-Backbone interact. energy: -0.000 local terms energy: -33.804399 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -4.958 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: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -66.975714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.975714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.975714 (E_RNA) where: Base-Base interactions energy: -33.904 where: short stacking energy: -28.127 Base-Backbone interact. energy: 0.763 local terms energy: -33.835182 where: bonds (distance) C4'-P energy: -5.543 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -6.417 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -7.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -50.324969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.324969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.324969 (E_RNA) where: Base-Base interactions energy: -25.936 where: short stacking energy: -13.814 Base-Backbone interact. energy: -0.010 local terms energy: -24.379046 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -3.871 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -3.097 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -43.065038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.065038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.065038 (E_RNA) where: Base-Base interactions energy: -17.371 where: short stacking energy: -17.255 Base-Backbone interact. energy: -0.001 local terms energy: -25.692802 where: bonds (distance) C4'-P energy: -9.136 bonds (distance) P-C4' energy: -4.348 flat angles C4'-P-C4' energy: -6.583 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -43.694121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.694121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.694121 (E_RNA) where: Base-Base interactions energy: -14.097 where: short stacking energy: -14.097 Base-Backbone interact. energy: -0.060 local terms energy: -29.537684 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.869 flat angles P-C4'-P energy: -6.463 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: 10, replica: 6 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -39.247236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.247236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.247236 (E_RNA) where: Base-Base interactions energy: -13.298 where: short stacking energy: -13.298 Base-Backbone interact. energy: -0.000 local terms energy: -25.948968 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.151 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: 343 Temperature: 0.900000 Total energy: -61.427472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.427472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.427472 (E_RNA) where: Base-Base interactions energy: -23.556 where: short stacking energy: -23.556 Base-Backbone interact. energy: -0.118 local terms energy: -37.753709 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -8.161 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -65.301594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.301594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.301594 (E_RNA) where: Base-Base interactions energy: -26.554 where: short stacking energy: -26.554 Base-Backbone interact. energy: -0.002 local terms energy: -38.745843 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -7.519 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -7.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -59.130570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.130570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.130570 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.000 local terms energy: -35.164975 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.246 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: 9 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -47.938801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.938801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.938801 (E_RNA) where: Base-Base interactions energy: -20.073 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.018 local terms energy: -27.847239 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -6.965 flat angles C4'-P-C4' energy: -6.197 flat angles P-C4'-P energy: -3.854 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: 5, replica: 3 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -54.535566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.535566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.535566 (E_RNA) where: Base-Base interactions energy: -26.049 where: short stacking energy: -18.085 Base-Backbone interact. energy: 0.699 local terms energy: -29.186191 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -4.715 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: 7 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -51.478103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.478103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.478103 (E_RNA) where: Base-Base interactions energy: -20.242 where: short stacking energy: -20.242 Base-Backbone interact. energy: -0.110 local terms energy: -31.126096 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.109 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -4.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -52.594342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.594342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.594342 (E_RNA) where: Base-Base interactions energy: -19.932 where: short stacking energy: -19.932 Base-Backbone interact. energy: -0.015 local terms energy: -32.647440 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -44.893163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.893163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.893163 (E_RNA) where: Base-Base interactions energy: -28.284 where: short stacking energy: -16.260 Base-Backbone interact. energy: -0.002 local terms energy: -16.607132 where: bonds (distance) C4'-P energy: -2.766 bonds (distance) P-C4' energy: -6.911 flat angles C4'-P-C4' energy: -4.179 flat angles P-C4'-P energy: -4.797 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: 9, replica: 8 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -50.060188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.060188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.060188 (E_RNA) where: Base-Base interactions energy: -21.307 where: short stacking energy: -18.361 Base-Backbone interact. energy: -0.029 local terms energy: -28.724817 where: bonds (distance) C4'-P energy: -6.649 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.769 flat angles P-C4'-P energy: -3.203 tors. eta vs tors. theta energy: -2.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -45.353059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.353059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.353059 (E_RNA) where: Base-Base interactions energy: -20.672 where: short stacking energy: -14.458 Base-Backbone interact. energy: -0.001 local terms energy: -24.680134 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -4.133 flat angles P-C4'-P energy: -3.763 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -64.370492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.370492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.370492 (E_RNA) where: Base-Base interactions energy: -29.236 where: short stacking energy: -29.236 Base-Backbone interact. energy: -0.000 local terms energy: -35.134363 where: bonds (distance) C4'-P energy: -6.573 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -5.545 tors. eta vs tors. theta energy: -7.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -55.929441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.929441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.929441 (E_RNA) where: Base-Base interactions energy: -26.695 where: short stacking energy: -26.695 Base-Backbone interact. energy: -0.000 local terms energy: -29.233997 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -4.535 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -57.769463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.769463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.769463 (E_RNA) where: Base-Base interactions energy: -24.146 where: short stacking energy: -24.146 Base-Backbone interact. energy: -0.006 local terms energy: -33.617324 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.389 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -7.167 tors. eta vs tors. theta energy: -5.780 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: 344 Temperature: 1.050000 Total energy: -67.008684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.008684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.008684 (E_RNA) where: Base-Base interactions energy: -29.902 where: short stacking energy: -27.358 Base-Backbone interact. energy: -0.000 local terms energy: -37.106535 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -7.838 flat angles C4'-P-C4' energy: -7.300 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -8.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -48.273996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.273996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.273996 (E_RNA) where: Base-Base interactions energy: -21.080 where: short stacking energy: -18.822 Base-Backbone interact. energy: -0.255 local terms energy: -26.939014 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.576 flat angles C4'-P-C4' energy: -6.079 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -3.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -50.671684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.671684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.671684 (E_RNA) where: Base-Base interactions energy: -17.754 where: short stacking energy: -17.754 Base-Backbone interact. energy: -0.010 local terms energy: -32.907894 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -9.098 flat angles C4'-P-C4' energy: -7.224 flat angles P-C4'-P energy: -5.567 tors. eta vs tors. theta energy: -4.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -43.014303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.014303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.014303 (E_RNA) where: Base-Base interactions energy: -15.172 where: short stacking energy: -15.103 Base-Backbone interact. energy: -0.090 local terms energy: -27.752348 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.413 flat angles C4'-P-C4' energy: -5.760 flat angles P-C4'-P energy: -5.471 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: 8, replica: 5 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -42.978640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.978640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.978640 (E_RNA) where: Base-Base interactions energy: -12.347 where: short stacking energy: -12.347 Base-Backbone interact. energy: 0.551 local terms energy: -31.182381 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.165 flat angles P-C4'-P energy: -6.164 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: 9, replica: 6 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -41.663011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.663011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.663011 (E_RNA) where: Base-Base interactions energy: -17.573 where: short stacking energy: -11.909 Base-Backbone interact. energy: -0.075 local terms energy: -24.014755 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -4.658 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: 1.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -41.808930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.808930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.808930 (E_RNA) where: Base-Base interactions energy: -10.651 where: short stacking energy: -8.217 Base-Backbone interact. energy: 0.293 local terms energy: -31.450638 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -8.020 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -2.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -66.591619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.591619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.591619 (E_RNA) where: Base-Base interactions energy: -31.137 where: short stacking energy: -31.137 Base-Backbone interact. energy: -0.002 local terms energy: -35.453559 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.457 tors. eta vs tors. theta energy: -7.041 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: 345 Temperature: 0.950000 Total energy: -67.827759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.827759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.827759 (E_RNA) where: Base-Base interactions energy: -34.423 where: short stacking energy: -28.840 Base-Backbone interact. energy: -0.005 local terms energy: -33.400612 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -8.574 flat angles P-C4'-P energy: -2.966 tors. eta vs tors. theta energy: -6.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -64.414561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.414561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.414561 (E_RNA) where: Base-Base interactions energy: -30.096 where: short stacking energy: -30.096 Base-Backbone interact. energy: -0.090 local terms energy: -34.229305 where: bonds (distance) C4'-P energy: -5.630 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.782 flat angles P-C4'-P energy: -3.452 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: 4, replica: 7 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -57.775259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.775259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.775259 (E_RNA) where: Base-Base interactions energy: -21.015 where: short stacking energy: -21.015 Base-Backbone interact. energy: -0.039 local terms energy: -36.720873 where: bonds (distance) C4'-P energy: -6.595 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.131 flat angles P-C4'-P energy: -6.197 tors. eta vs tors. theta energy: -7.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -61.646446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.646446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.646446 (E_RNA) where: Base-Base interactions energy: -29.351 where: short stacking energy: -26.414 Base-Backbone interact. energy: -0.002 local terms energy: -32.292721 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.480 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -7.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -50.797468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.797468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.797468 (E_RNA) where: Base-Base interactions energy: -19.397 where: short stacking energy: -19.397 Base-Backbone interact. energy: -0.080 local terms energy: -31.320660 where: bonds (distance) C4'-P energy: -4.950 bonds (distance) P-C4' energy: -6.841 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -4.903 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -45.060533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.060533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.060533 (E_RNA) where: Base-Base interactions energy: -17.038 where: short stacking energy: -16.539 Base-Backbone interact. energy: -0.097 local terms energy: -27.925428 where: bonds (distance) C4'-P energy: -5.050 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.126 flat angles P-C4'-P energy: -2.474 tors. eta vs tors. theta energy: -4.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -58.480919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.480919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.480919 (E_RNA) where: Base-Base interactions energy: -26.076 where: short stacking energy: -26.076 Base-Backbone interact. energy: -0.000 local terms energy: -32.405015 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.327 flat angles P-C4'-P energy: -4.603 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -51.346814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.346814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.346814 (E_RNA) where: Base-Base interactions energy: -18.581 where: short stacking energy: -18.581 Base-Backbone interact. energy: -0.000 local terms energy: -32.765482 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -6.579 flat angles P-C4'-P energy: -3.857 tors. eta vs tors. theta energy: -8.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -45.198506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.198506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.198506 (E_RNA) where: Base-Base interactions energy: -16.315 where: short stacking energy: -16.315 Base-Backbone interact. energy: -0.059 local terms energy: -28.825138 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -7.515 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -3.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -70.994919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.994919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.994919 (E_RNA) where: Base-Base interactions energy: -31.547 where: short stacking energy: -24.862 Base-Backbone interact. energy: -0.089 local terms energy: -39.358771 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -7.888 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -8.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -60.157164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.157164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.157164 (E_RNA) where: Base-Base interactions energy: -23.302 where: short stacking energy: -23.302 Base-Backbone interact. energy: -0.000 local terms energy: -36.854701 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.626 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -67.173565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.173565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.173565 (E_RNA) where: Base-Base interactions energy: -29.840 where: short stacking energy: -29.840 Base-Backbone interact. energy: -0.001 local terms energy: -37.332571 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -8.277 flat angles P-C4'-P energy: -5.965 tors. eta vs tors. theta energy: -7.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -48.388705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.388705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.388705 (E_RNA) where: Base-Base interactions energy: -15.637 where: short stacking energy: -15.637 Base-Backbone interact. energy: -0.107 local terms energy: -32.644869 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.786 flat angles P-C4'-P energy: -4.081 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: 5, replica: 2 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -56.106538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.106538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.106538 (E_RNA) where: Base-Base interactions energy: -20.461 where: short stacking energy: -20.461 Base-Backbone interact. energy: -0.005 local terms energy: -35.640506 where: bonds (distance) C4'-P energy: -8.114 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -4.256 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: 6, replica: 1 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -55.388277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.388277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.388277 (E_RNA) where: Base-Base interactions energy: -23.122 where: short stacking energy: -20.475 Base-Backbone interact. energy: 0.697 local terms energy: -32.963638 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -7.622 flat angles C4'-P-C4' energy: -3.748 flat angles P-C4'-P energy: -7.235 tors. eta vs tors. theta energy: -6.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -54.375068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.375068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.375068 (E_RNA) where: Base-Base interactions energy: -25.058 where: short stacking energy: -16.148 Base-Backbone interact. energy: -0.003 local terms energy: -29.314050 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -3.022 flat angles P-C4'-P energy: -5.696 tors. eta vs tors. theta energy: -2.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -51.177017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.177017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.177017 (E_RNA) where: Base-Base interactions energy: -21.898 where: short stacking energy: -16.593 Base-Backbone interact. energy: -0.252 local terms energy: -29.027133 where: bonds (distance) C4'-P energy: -4.611 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -2.245 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: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -44.360744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.360744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.360744 (E_RNA) where: Base-Base interactions energy: -16.279 where: short stacking energy: -16.279 Base-Backbone interact. energy: -0.004 local terms energy: -28.078258 where: bonds (distance) C4'-P energy: -4.517 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.997 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -5.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -37.922000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.922000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.922000 (E_RNA) where: Base-Base interactions energy: -15.380 where: short stacking energy: -15.380 Base-Backbone interact. energy: -0.066 local terms energy: -22.476326 where: bonds (distance) C4'-P energy: -4.691 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -2.392 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: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -67.867292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.867292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.867292 (E_RNA) where: Base-Base interactions energy: -35.789 where: short stacking energy: -23.350 Base-Backbone interact. energy: 0.377 local terms energy: -32.454963 where: bonds (distance) C4'-P energy: -4.356 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.284 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -5.764 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: 4 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -58.732004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.732004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.732004 (E_RNA) where: Base-Base interactions energy: -25.495 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.011 local terms energy: -33.226669 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.358 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -7.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -61.394140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.394140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.394140 (E_RNA) where: Base-Base interactions energy: -29.610 where: short stacking energy: -26.334 Base-Backbone interact. energy: -0.025 local terms energy: -31.759332 where: bonds (distance) C4'-P energy: -5.949 bonds (distance) P-C4' energy: -8.538 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -5.007 tors. eta vs tors. theta energy: -5.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -60.546232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.546232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.546232 (E_RNA) where: Base-Base interactions energy: -24.938 where: short stacking energy: -24.938 Base-Backbone interact. energy: -0.016 local terms energy: -35.592791 where: bonds (distance) C4'-P energy: -4.686 bonds (distance) P-C4' energy: -8.848 flat angles C4'-P-C4' energy: -6.592 flat angles P-C4'-P energy: -7.464 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: 5, replica: 7 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -50.971462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.971462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.971462 (E_RNA) where: Base-Base interactions energy: -18.883 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.012 local terms energy: -32.076194 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.872 flat angles C4'-P-C4' energy: -7.887 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -47.650607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.650607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.650607 (E_RNA) where: Base-Base interactions energy: -19.952 where: short stacking energy: -19.952 Base-Backbone interact. energy: -0.014 local terms energy: -27.683726 where: bonds (distance) C4'-P energy: -3.742 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.685 flat angles P-C4'-P energy: -4.070 tors. eta vs tors. theta energy: -5.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -43.412515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.412515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.412515 (E_RNA) where: Base-Base interactions energy: -18.005 where: short stacking energy: -18.005 Base-Backbone interact. energy: -0.010 local terms energy: -25.397848 where: bonds (distance) C4'-P energy: -5.722 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -5.663 flat angles P-C4'-P energy: -3.333 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: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -42.417099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.417099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.417099 (E_RNA) where: Base-Base interactions energy: -16.518 where: short stacking energy: -16.518 Base-Backbone interact. energy: -0.196 local terms energy: -25.702939 where: bonds (distance) C4'-P energy: -5.982 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -5.245 flat angles P-C4'-P energy: -3.598 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: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -45.515130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.515130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.515130 (E_RNA) where: Base-Base interactions energy: -22.112 where: short stacking energy: -22.112 Base-Backbone interact. energy: -0.029 local terms energy: -23.373285 where: bonds (distance) C4'-P energy: -7.041 bonds (distance) P-C4' energy: -2.719 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -1.842 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: 5 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -48.193466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.193466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.193466 (E_RNA) where: Base-Base interactions energy: -22.989 where: short stacking energy: -13.624 Base-Backbone interact. energy: -0.103 local terms energy: -25.101991 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -0.990 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: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -79.558863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.558863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.558863 (E_RNA) where: Base-Base interactions energy: -41.658 where: short stacking energy: -28.148 Base-Backbone interact. energy: -0.393 local terms energy: -37.507618 where: bonds (distance) C4'-P energy: -8.751 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.303 flat angles P-C4'-P energy: -5.114 tors. eta vs tors. theta energy: -6.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -65.048179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.048179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.048179 (E_RNA) where: Base-Base interactions energy: -27.349 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.000 local terms energy: -37.698956 where: bonds (distance) C4'-P energy: -6.434 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -6.100 tors. eta vs tors. theta energy: -9.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -55.545110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.545110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.545110 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -22.824 Base-Backbone interact. energy: -0.016 local terms energy: -32.705195 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -1.834 tors. eta vs tors. theta energy: -8.012 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: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -53.377952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.377952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.377952 (E_RNA) where: Base-Base interactions energy: -19.252 where: short stacking energy: -19.252 Base-Backbone interact. energy: -0.169 local terms energy: -33.957356 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.725 flat angles P-C4'-P energy: -6.886 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -66.087487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.087487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.087487 (E_RNA) where: Base-Base interactions energy: -31.693 where: short stacking energy: -25.519 Base-Backbone interact. energy: -0.002 local terms energy: -34.392356 where: bonds (distance) C4'-P energy: -5.602 bonds (distance) P-C4' energy: -9.069 flat angles C4'-P-C4' energy: -8.353 flat angles P-C4'-P energy: -3.973 tors. eta vs tors. theta energy: -7.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -55.118432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.118432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.118432 (E_RNA) where: Base-Base interactions energy: -21.623 where: short stacking energy: -21.623 Base-Backbone interact. energy: -0.000 local terms energy: -33.495717 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.527 flat angles C4'-P-C4' energy: -6.724 flat angles P-C4'-P energy: -4.655 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: 7, replica: 6 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -50.044474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.044474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.044474 (E_RNA) where: Base-Base interactions energy: -25.498 where: short stacking energy: -18.773 Base-Backbone interact. energy: -0.001 local terms energy: -24.544723 where: bonds (distance) C4'-P energy: -5.539 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -2.149 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -2.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -46.237563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.237563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.237563 (E_RNA) where: Base-Base interactions energy: -13.558 where: short stacking energy: -13.558 Base-Backbone interact. energy: -0.000 local terms energy: -32.679515 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.520 flat angles P-C4'-P energy: -6.534 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: 5 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -40.486152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.486152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.486152 (E_RNA) where: Base-Base interactions energy: -12.031 where: short stacking energy: -12.031 Base-Backbone interact. energy: -0.005 local terms energy: -28.449969 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -2.840 tors. eta vs tors. theta energy: -2.499 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: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -43.935731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.935731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.935731 (E_RNA) where: Base-Base interactions energy: -18.760 where: short stacking energy: -18.760 Base-Backbone interact. energy: -0.037 local terms energy: -25.138543 where: bonds (distance) C4'-P energy: -3.933 bonds (distance) P-C4' energy: -5.805 flat angles C4'-P-C4' energy: -6.969 flat angles P-C4'-P energy: -3.911 tors. eta vs tors. theta energy: -4.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -68.983908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.983908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.983908 (E_RNA) where: Base-Base interactions energy: -36.065 where: short stacking energy: -23.417 Base-Backbone interact. energy: -0.082 local terms energy: -32.836920 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -7.323 flat angles C4'-P-C4' energy: -6.625 flat angles P-C4'-P energy: -6.314 tors. eta vs tors. theta energy: -5.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -63.832037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.832037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.832037 (E_RNA) where: Base-Base interactions energy: -28.954 where: short stacking energy: -28.954 Base-Backbone interact. energy: -0.000 local terms energy: -34.878119 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -4.596 flat angles P-C4'-P energy: -4.658 tors. eta vs tors. theta energy: -8.239 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: 2 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -55.266538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.266538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.266538 (E_RNA) where: Base-Base interactions energy: -26.320 where: short stacking energy: -17.619 Base-Backbone interact. energy: -0.148 local terms energy: -28.798457 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -7.648 flat angles P-C4'-P energy: -2.744 tors. eta vs tors. theta energy: -2.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -59.802963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.802963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.802963 (E_RNA) where: Base-Base interactions energy: -24.778 where: short stacking energy: -24.419 Base-Backbone interact. energy: -0.000 local terms energy: -35.024800 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.776 flat angles P-C4'-P energy: -4.006 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -52.160725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.160725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.160725 (E_RNA) where: Base-Base interactions energy: -23.662 where: short stacking energy: -23.662 Base-Backbone interact. energy: -0.006 local terms energy: -28.492397 where: bonds (distance) C4'-P energy: -7.079 bonds (distance) P-C4' energy: -6.364 flat angles C4'-P-C4' energy: -5.954 flat angles P-C4'-P energy: -4.328 tors. eta vs tors. theta energy: -4.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -56.444839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.444839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.444839 (E_RNA) where: Base-Base interactions energy: -20.379 where: short stacking energy: -20.379 Base-Backbone interact. energy: -0.002 local terms energy: -36.063116 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -8.870 flat angles P-C4'-P energy: -6.810 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: 7, replica: 1 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -55.291816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.291816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.291816 (E_RNA) where: Base-Base interactions energy: -21.500 where: short stacking energy: -21.500 Base-Backbone interact. energy: -0.014 local terms energy: -33.777066 where: bonds (distance) C4'-P energy: -6.699 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.196 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -8.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -45.857304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.857304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.857304 (E_RNA) where: Base-Base interactions energy: -22.470 where: short stacking energy: -22.470 Base-Backbone interact. energy: -0.069 local terms energy: -23.318147 where: bonds (distance) C4'-P energy: -4.692 bonds (distance) P-C4' energy: -7.389 flat angles C4'-P-C4' energy: -4.335 flat angles P-C4'-P energy: -4.114 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -45.653427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.653427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.653427 (E_RNA) where: Base-Base interactions energy: -19.082 where: short stacking energy: -11.030 Base-Backbone interact. energy: -0.002 local terms energy: -26.569798 where: bonds (distance) C4'-P energy: -6.872 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.703 flat angles P-C4'-P energy: -3.110 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -50.535655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.535655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.535655 (E_RNA) where: Base-Base interactions energy: -23.051 where: short stacking energy: -22.894 Base-Backbone interact. energy: -0.000 local terms energy: -27.484774 where: bonds (distance) C4'-P energy: -7.059 bonds (distance) P-C4' energy: -4.634 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -3.132 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: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -69.803977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.803977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.803977 (E_RNA) where: Base-Base interactions energy: -36.043 where: short stacking energy: -22.151 Base-Backbone interact. energy: -0.089 local terms energy: -33.671960 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -5.527 flat angles P-C4'-P energy: -4.398 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: 2, replica: 4 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -65.037927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.037927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.037927 (E_RNA) where: Base-Base interactions energy: -27.885 where: short stacking energy: -27.885 Base-Backbone interact. energy: -0.000 local terms energy: -37.153200 where: bonds (distance) C4'-P energy: -3.730 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.862 flat angles P-C4'-P energy: -7.669 tors. eta vs tors. theta energy: -8.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -64.269987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.269987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.269987 (E_RNA) where: Base-Base interactions energy: -28.071 where: short stacking energy: -28.071 Base-Backbone interact. energy: -0.000 local terms energy: -36.199157 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.205 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -9.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -54.791821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.791821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.791821 (E_RNA) where: Base-Base interactions energy: -25.350 where: short stacking energy: -18.272 Base-Backbone interact. energy: -0.075 local terms energy: -29.367015 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -6.004 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -5.733 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: 5, replica: 6 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -54.206050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.206050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.206050 (E_RNA) where: Base-Base interactions energy: -23.465 where: short stacking energy: -23.465 Base-Backbone interact. energy: -0.040 local terms energy: -30.700855 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.365 flat angles P-C4'-P energy: -5.901 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: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -51.007149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.007149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.007149 (E_RNA) where: Base-Base interactions energy: -18.985 where: short stacking energy: -18.985 Base-Backbone interact. energy: 0.415 local terms energy: -32.437314 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -8.832 flat angles P-C4'-P energy: -5.765 tors. eta vs tors. theta energy: -4.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -45.605463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.605463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.605463 (E_RNA) where: Base-Base interactions energy: -16.990 where: short stacking energy: -16.789 Base-Backbone interact. energy: -0.116 local terms energy: -28.498951 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -4.388 flat angles P-C4'-P energy: -4.990 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: 5 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -44.977695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.977695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.977695 (E_RNA) where: Base-Base interactions energy: -15.821 where: short stacking energy: -15.821 Base-Backbone interact. energy: -0.098 local terms energy: -29.059545 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -6.023 flat angles C4'-P-C4' energy: -5.495 flat angles P-C4'-P energy: -6.163 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: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -55.407908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.407908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.407908 (E_RNA) where: Base-Base interactions energy: -21.513 where: short stacking energy: -21.513 Base-Backbone interact. energy: -0.000 local terms energy: -33.894586 where: bonds (distance) C4'-P energy: -6.698 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -5.366 tors. eta vs tors. theta energy: -7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -51.933806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.933806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.933806 (E_RNA) where: Base-Base interactions energy: -18.331 where: short stacking energy: -18.331 Base-Backbone interact. energy: -0.003 local terms energy: -33.599895 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -7.489 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.552 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: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -71.724635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.724635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.724635 (E_RNA) where: Base-Base interactions energy: -35.932 where: short stacking energy: -22.099 Base-Backbone interact. energy: -0.001 local terms energy: -35.792156 where: bonds (distance) C4'-P energy: -7.045 bonds (distance) P-C4' energy: -8.579 flat angles C4'-P-C4' energy: -7.050 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -7.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -62.148711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.148711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.148711 (E_RNA) where: Base-Base interactions energy: -29.842 where: short stacking energy: -23.988 Base-Backbone interact. energy: -0.000 local terms energy: -32.306621 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.781 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -4.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -67.056935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.056935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.056935 (E_RNA) where: Base-Base interactions energy: -31.576 where: short stacking energy: -31.576 Base-Backbone interact. energy: -0.018 local terms energy: -35.462705 where: bonds (distance) C4'-P energy: -6.950 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.098 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -7.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -55.924128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.924128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.924128 (E_RNA) where: Base-Base interactions energy: -28.282 where: short stacking energy: -21.198 Base-Backbone interact. energy: -0.008 local terms energy: -27.634502 where: bonds (distance) C4'-P energy: -4.852 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -5.244 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: 5, replica: 2 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -61.613363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.613363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.613363 (E_RNA) where: Base-Base interactions energy: -30.883 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.235 local terms energy: -30.495321 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -5.066 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: 6, replica: 10 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -50.230935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.230935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.230935 (E_RNA) where: Base-Base interactions energy: -16.396 where: short stacking energy: -16.396 Base-Backbone interact. energy: -0.005 local terms energy: -33.829575 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -6.954 tors. eta vs tors. theta energy: -3.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -46.885031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.885031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.885031 (E_RNA) where: Base-Base interactions energy: -15.432 where: short stacking energy: -15.432 Base-Backbone interact. energy: -0.007 local terms energy: -31.445882 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.112 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -5.174 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: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -46.569600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.569600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.569600 (E_RNA) where: Base-Base interactions energy: -13.608 where: short stacking energy: -13.608 Base-Backbone interact. energy: -0.000 local terms energy: -32.961551 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -8.536 flat angles P-C4'-P energy: -5.730 tors. eta vs tors. theta energy: -2.680 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: 351 Temperature: 1.300000 Total energy: -47.032181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.032181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.032181 (E_RNA) where: Base-Base interactions energy: -20.853 where: short stacking energy: -20.853 Base-Backbone interact. energy: -0.050 local terms energy: -26.129297 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -2.965 flat angles C4'-P-C4' energy: -5.860 flat angles P-C4'-P energy: -4.967 tors. eta vs tors. theta energy: -6.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -43.540480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.540480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.540480 (E_RNA) where: Base-Base interactions energy: -16.804 where: short stacking energy: -9.834 Base-Backbone interact. energy: 0.122 local terms energy: -26.858197 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -6.169 flat angles C4'-P-C4' energy: -6.369 flat angles P-C4'-P energy: -2.877 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: 1, replica: 7 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -85.276677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.276677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.276677 (E_RNA) where: Base-Base interactions energy: -45.802 where: short stacking energy: -26.458 Base-Backbone interact. energy: -0.007 local terms energy: -39.467385 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -8.713 flat angles P-C4'-P energy: -6.462 tors. eta vs tors. theta energy: -6.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -65.265703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.265703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.265703 (E_RNA) where: Base-Base interactions energy: -29.837 where: short stacking energy: -30.733 Base-Backbone interact. energy: -0.000 local terms energy: -35.428875 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.500 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -66.294892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.294892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.294892 (E_RNA) where: Base-Base interactions energy: -30.594 where: short stacking energy: -20.934 Base-Backbone interact. energy: -0.008 local terms energy: -35.692164 where: bonds (distance) C4'-P energy: -6.044 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -8.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -55.008787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.008787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.008787 (E_RNA) where: Base-Base interactions energy: -17.375 where: short stacking energy: -17.375 Base-Backbone interact. energy: -0.001 local terms energy: -37.632678 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.709 flat angles P-C4'-P energy: -6.072 tors. eta vs tors. theta energy: -6.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -53.934323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.934323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.934323 (E_RNA) where: Base-Base interactions energy: -24.315 where: short stacking energy: -24.315 Base-Backbone interact. energy: -0.013 local terms energy: -29.605959 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -2.945 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: 2 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -50.495805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.495805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.495805 (E_RNA) where: Base-Base interactions energy: -21.545 where: short stacking energy: -21.545 Base-Backbone interact. energy: -0.147 local terms energy: -28.804016 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.508 flat angles C4'-P-C4' energy: -6.065 flat angles P-C4'-P energy: -2.388 tors. eta vs tors. theta energy: -5.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -51.676995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.676995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.676995 (E_RNA) where: Base-Base interactions energy: -22.021 where: short stacking energy: -22.021 Base-Backbone interact. energy: -0.000 local terms energy: -29.655667 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.152 flat angles P-C4'-P energy: -3.589 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: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -43.999618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.999618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.999618 (E_RNA) where: Base-Base interactions energy: -19.468 where: short stacking energy: -15.218 Base-Backbone interact. energy: -0.103 local terms energy: -24.428112 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -3.297 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -1.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -46.800678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.800678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.800678 (E_RNA) where: Base-Base interactions energy: -25.324 where: short stacking energy: -25.324 Base-Backbone interact. energy: -0.000 local terms energy: -21.476626 where: bonds (distance) C4'-P energy: -3.220 bonds (distance) P-C4' energy: -4.273 flat angles C4'-P-C4' energy: -5.770 flat angles P-C4'-P energy: -4.170 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: 10, replica: 5 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -42.106513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.106513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.106513 (E_RNA) where: Base-Base interactions energy: -17.351 where: short stacking energy: -16.830 Base-Backbone interact. energy: -0.018 local terms energy: -24.737133 where: bonds (distance) C4'-P energy: -6.194 bonds (distance) P-C4' energy: -3.433 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -4.935 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: 1, replica: 7 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -85.042725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.042725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.042725 (E_RNA) where: Base-Base interactions energy: -46.341 where: short stacking energy: -26.345 Base-Backbone interact. energy: -0.002 local terms energy: -38.699559 where: bonds (distance) C4'-P energy: -6.852 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -8.534 flat angles P-C4'-P energy: -6.128 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -68.679188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.679188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.679188 (E_RNA) where: Base-Base interactions energy: -41.986 where: short stacking energy: -25.708 Base-Backbone interact. energy: -0.009 local terms energy: -26.684053 where: bonds (distance) C4'-P energy: -3.042 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -1.801 tors. eta vs tors. theta energy: -6.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -73.832418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.832418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.832418 (E_RNA) where: Base-Base interactions energy: -41.439 where: short stacking energy: -19.952 Base-Backbone interact. energy: -0.003 local terms energy: -32.390493 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.707 flat angles P-C4'-P energy: -3.671 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: 4 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -65.946609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.946609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.946609 (E_RNA) where: Base-Base interactions energy: -31.499 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.001 local terms energy: -34.445845 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -7.425 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -7.088 tors. eta vs tors. theta energy: -6.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -52.618740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.618740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.618740 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -19.731 Base-Backbone interact. energy: -0.004 local terms energy: -32.756910 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.511 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -3.143 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: 2 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -47.962172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.962172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.962172 (E_RNA) where: Base-Base interactions energy: -16.042 where: short stacking energy: -16.042 Base-Backbone interact. energy: -0.050 local terms energy: -31.869891 where: bonds (distance) C4'-P energy: -5.625 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -5.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -53.126296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.126296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.126296 (E_RNA) where: Base-Base interactions energy: -17.535 where: short stacking energy: -17.535 Base-Backbone interact. energy: -0.020 local terms energy: -35.571382 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.609 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -5.784 tors. eta vs tors. theta energy: -4.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -42.473345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.473345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.473345 (E_RNA) where: Base-Base interactions energy: -14.751 where: short stacking energy: -14.751 Base-Backbone interact. energy: -0.095 local terms energy: -27.627366 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -7.678 flat angles P-C4'-P energy: -1.540 tors. eta vs tors. theta energy: -0.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -45.253538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.253538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.253538 (E_RNA) where: Base-Base interactions energy: -16.143 where: short stacking energy: -16.143 Base-Backbone interact. energy: -0.000 local terms energy: -29.110447 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.965 flat angles P-C4'-P energy: -4.635 tors. eta vs tors. theta energy: -3.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -43.223962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.223962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.223962 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.074 local terms energy: -30.458536 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -7.829 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -2.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -65.374547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.374547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.374547 (E_RNA) where: Base-Base interactions energy: -28.622 where: short stacking energy: -28.622 Base-Backbone interact. energy: -0.000 local terms energy: -36.752639 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -7.034 flat angles C4'-P-C4' energy: -9.189 flat angles P-C4'-P energy: -5.200 tors. eta vs tors. theta energy: -6.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -62.307245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.307245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.307245 (E_RNA) where: Base-Base interactions energy: -24.480 where: short stacking energy: -22.547 Base-Backbone interact. energy: -0.002 local terms energy: -37.825216 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -7.581 tors. eta vs tors. theta energy: -5.491 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: 4 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -61.043783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.043783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.043783 (E_RNA) where: Base-Base interactions energy: -24.505 where: short stacking energy: -24.505 Base-Backbone interact. energy: -0.028 local terms energy: -36.511725 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -8.038 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -69.799044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.799044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.799044 (E_RNA) where: Base-Base interactions energy: -37.782 where: short stacking energy: -16.171 Base-Backbone interact. energy: -0.040 local terms energy: -31.977848 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.703 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: 5, replica: 10 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -54.317913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.317913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.317913 (E_RNA) where: Base-Base interactions energy: -21.985 where: short stacking energy: -20.294 Base-Backbone interact. energy: -0.417 local terms energy: -31.916368 where: bonds (distance) C4'-P energy: -6.400 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -5.423 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: 6, replica: 2 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -54.253343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.253343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.253343 (E_RNA) where: Base-Base interactions energy: -27.275 where: short stacking energy: -20.708 Base-Backbone interact. energy: 0.763 local terms energy: -27.741354 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -5.973 flat angles P-C4'-P energy: -3.347 tors. eta vs tors. theta energy: -2.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -41.788329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.788329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.788329 (E_RNA) where: Base-Base interactions energy: -14.975 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.089 local terms energy: -26.723883 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -3.808 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: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -47.248090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.248090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.248090 (E_RNA) where: Base-Base interactions energy: -15.870 where: short stacking energy: -11.284 Base-Backbone interact. energy: -0.187 local terms energy: -31.191762 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -46.352227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.352227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.352227 (E_RNA) where: Base-Base interactions energy: -15.380 where: short stacking energy: -15.380 Base-Backbone interact. energy: -0.000 local terms energy: -30.971815 where: bonds (distance) C4'-P energy: -6.843 bonds (distance) P-C4' energy: -6.022 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -2.683 tors. eta vs tors. theta energy: -6.084 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: 1 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -43.979448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.979448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.979448 (E_RNA) where: Base-Base interactions energy: -15.603 where: short stacking energy: -15.603 Base-Backbone interact. energy: -0.102 local terms energy: -28.274068 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.873 flat angles P-C4'-P energy: -2.604 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: 1, replica: 7 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -63.356311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.356311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.356311 (E_RNA) where: Base-Base interactions energy: -30.714 where: short stacking energy: -20.280 Base-Backbone interact. energy: -0.134 local terms energy: -32.507868 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.594 flat angles P-C4'-P energy: -4.953 tors. eta vs tors. theta energy: -6.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -69.251460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.251460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.251460 (E_RNA) where: Base-Base interactions energy: -27.648 where: short stacking energy: -26.582 Base-Backbone interact. energy: -2.363 local terms energy: -39.240085 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -8.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -60.954068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.954068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.954068 (E_RNA) where: Base-Base interactions energy: -26.210 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.000 local terms energy: -34.744173 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -7.376 flat angles P-C4'-P energy: -3.896 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: 4, replica: 10 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -57.896979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.896979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.896979 (E_RNA) where: Base-Base interactions energy: -25.756 where: short stacking energy: -17.173 Base-Backbone interact. energy: -0.002 local terms energy: -32.139447 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.559 flat angles P-C4'-P energy: -3.767 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: 5, replica: 9 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -53.595216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.595216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.595216 (E_RNA) where: Base-Base interactions energy: -19.192 where: short stacking energy: -19.192 Base-Backbone interact. energy: -0.063 local terms energy: -34.339945 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -4.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -51.899874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.899874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.899874 (E_RNA) where: Base-Base interactions energy: -22.478 where: short stacking energy: -22.478 Base-Backbone interact. energy: -0.032 local terms energy: -29.389759 where: bonds (distance) C4'-P energy: -5.817 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -6.689 flat angles P-C4'-P energy: -4.537 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: 2 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -48.134951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.134951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.134951 (E_RNA) where: Base-Base interactions energy: -18.156 where: short stacking energy: -18.156 Base-Backbone interact. energy: 0.735 local terms energy: -30.714084 where: bonds (distance) C4'-P energy: -7.107 bonds (distance) P-C4' energy: -6.916 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -3.552 tors. eta vs tors. theta energy: -5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -43.985009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.985009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.985009 (E_RNA) where: Base-Base interactions energy: -13.346 where: short stacking energy: -13.346 Base-Backbone interact. energy: -0.001 local terms energy: -30.638031 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.828 flat angles P-C4'-P energy: -6.431 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: 9, replica: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -48.719191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.719191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.719191 (E_RNA) where: Base-Base interactions energy: -20.315 where: short stacking energy: -20.315 Base-Backbone interact. energy: -0.000 local terms energy: -28.403670 where: bonds (distance) C4'-P energy: -6.032 bonds (distance) P-C4' energy: -4.241 flat angles C4'-P-C4' energy: -7.230 flat angles P-C4'-P energy: -6.080 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: 10, replica: 1 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -42.202152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.202152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.202152 (E_RNA) where: Base-Base interactions energy: -15.276 where: short stacking energy: -10.739 Base-Backbone interact. energy: 2.561 local terms energy: -29.487263 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.761 flat angles P-C4'-P energy: -3.948 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: 356 Temperature: 0.900000 Total energy: -66.244206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.244206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.244206 (E_RNA) where: Base-Base interactions energy: -27.996 where: short stacking energy: -27.996 Base-Backbone interact. energy: -0.169 local terms energy: -38.079941 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: -6.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -65.068408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.068408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.068408 (E_RNA) where: Base-Base interactions energy: -28.085 where: short stacking energy: -28.085 Base-Backbone interact. energy: -0.000 local terms energy: -36.983351 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -8.130 flat angles P-C4'-P energy: -5.883 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -62.243678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.243678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.243678 (E_RNA) where: Base-Base interactions energy: -28.623 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.000 local terms energy: -33.620372 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.352 flat angles P-C4'-P energy: -4.531 tors. eta vs tors. theta energy: -6.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -55.864901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.864901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.864901 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.000 local terms energy: -32.805392 where: bonds (distance) C4'-P energy: -3.758 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -4.782 tors. eta vs tors. theta energy: -9.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -50.817974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.817974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.817974 (E_RNA) where: Base-Base interactions energy: -23.747 where: short stacking energy: -19.795 Base-Backbone interact. energy: -0.015 local terms energy: -27.055725 where: bonds (distance) C4'-P energy: -3.741 bonds (distance) P-C4' energy: -6.878 flat angles C4'-P-C4' energy: -8.339 flat angles P-C4'-P energy: -5.748 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: 9 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -53.745017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.745017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.745017 (E_RNA) where: Base-Base interactions energy: -21.623 where: short stacking energy: -14.985 Base-Backbone interact. energy: -0.226 local terms energy: -31.895917 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.281 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -5.426 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: 7, replica: 5 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -48.719591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.719591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.719591 (E_RNA) where: Base-Base interactions energy: -17.627 where: short stacking energy: -17.627 Base-Backbone interact. energy: -0.000 local terms energy: -31.092077 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -1.663 flat angles P-C4'-P energy: -6.555 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: 8, replica: 2 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -53.815933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.815933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.815933 (E_RNA) where: Base-Base interactions energy: -22.344 where: short stacking energy: -22.344 Base-Backbone interact. energy: -0.000 local terms energy: -31.471722 where: bonds (distance) C4'-P energy: -6.627 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.457 flat angles P-C4'-P energy: -3.507 tors. eta vs tors. theta energy: -5.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -39.996058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.996058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.996058 (E_RNA) where: Base-Base interactions energy: -13.864 where: short stacking energy: -6.214 Base-Backbone interact. energy: 2.029 local terms energy: -28.160933 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.471 flat angles P-C4'-P energy: -4.821 tors. eta vs tors. theta energy: -0.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -36.616431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.616431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.616431 (E_RNA) where: Base-Base interactions energy: -8.187 where: short stacking energy: -8.187 Base-Backbone interact. energy: -0.000 local terms energy: -28.429301 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -7.295 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -4.284 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: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -80.331647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.331647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.331647 (E_RNA) where: Base-Base interactions energy: -48.457 where: short stacking energy: -23.063 Base-Backbone interact. energy: -0.124 local terms energy: -31.749964 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.232 flat angles P-C4'-P energy: -6.872 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: 2, replica: 10 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -71.304242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.304242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.304242 (E_RNA) where: Base-Base interactions energy: -35.288 where: short stacking energy: -23.590 Base-Backbone interact. energy: -0.014 local terms energy: -36.002807 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -9.144 flat angles P-C4'-P energy: -6.336 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: 3, replica: 7 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -60.901220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.901220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.901220 (E_RNA) where: Base-Base interactions energy: -25.459 where: short stacking energy: -22.446 Base-Backbone interact. energy: -0.004 local terms energy: -35.437742 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -6.931 flat angles P-C4'-P energy: -6.032 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -51.165668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.165668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.165668 (E_RNA) where: Base-Base interactions energy: -21.062 where: short stacking energy: -20.539 Base-Backbone interact. energy: -0.039 local terms energy: -30.064186 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.279 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -1.514 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: 4 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -48.221943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.221943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.221943 (E_RNA) where: Base-Base interactions energy: -19.525 where: short stacking energy: -19.525 Base-Backbone interact. energy: -0.000 local terms energy: -28.696933 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -5.847 flat angles C4'-P-C4' energy: -8.437 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -47.323082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.323082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.323082 (E_RNA) where: Base-Base interactions energy: -14.207 where: short stacking energy: -14.207 Base-Backbone interact. energy: -0.010 local terms energy: -33.106157 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.414 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.437 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: 7, replica: 9 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -48.365166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.365166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.365166 (E_RNA) where: Base-Base interactions energy: -18.805 where: short stacking energy: -18.388 Base-Backbone interact. energy: -0.001 local terms energy: -29.559246 where: bonds (distance) C4'-P energy: -7.026 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -5.713 flat angles P-C4'-P energy: -5.973 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: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -56.978844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.978844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.978844 (E_RNA) where: Base-Base interactions energy: -25.261 where: short stacking energy: -25.261 Base-Backbone interact. energy: -0.000 local terms energy: -31.717902 where: bonds (distance) C4'-P energy: -4.781 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -7.597 flat angles P-C4'-P energy: -5.280 tors. eta vs tors. theta energy: -6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -40.213059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.213059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.213059 (E_RNA) where: Base-Base interactions energy: -12.370 where: short stacking energy: -12.370 Base-Backbone interact. energy: -0.099 local terms energy: -27.744591 where: bonds (distance) C4'-P energy: -6.656 bonds (distance) P-C4' energy: -6.191 flat angles C4'-P-C4' energy: -7.822 flat angles P-C4'-P energy: -6.316 tors. eta vs tors. theta energy: -0.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -45.203526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.203526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.203526 (E_RNA) where: Base-Base interactions energy: -21.320 where: short stacking energy: -20.147 Base-Backbone interact. energy: 0.068 local terms energy: -23.952106 where: bonds (distance) C4'-P energy: -4.902 bonds (distance) P-C4' energy: -5.312 flat angles C4'-P-C4' energy: -6.795 flat angles P-C4'-P energy: -4.577 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -68.888095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.888095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.888095 (E_RNA) where: Base-Base interactions energy: -37.389 where: short stacking energy: -23.497 Base-Backbone interact. energy: -0.137 local terms energy: -31.361869 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -4.442 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -76.555304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.555304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.555304 (E_RNA) where: Base-Base interactions energy: -38.710 where: short stacking energy: -25.639 Base-Backbone interact. energy: -0.015 local terms energy: -37.830407 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -6.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -61.972599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.972599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.972599 (E_RNA) where: Base-Base interactions energy: -28.483 where: short stacking energy: -25.463 Base-Backbone interact. energy: -0.000 local terms energy: -33.489868 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -4.851 tors. eta vs tors. theta energy: -4.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -55.907110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.907110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.907110 (E_RNA) where: Base-Base interactions energy: -26.207 where: short stacking energy: -22.805 Base-Backbone interact. energy: -0.012 local terms energy: -29.688466 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -4.551 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -2.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -45.204822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.204822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.204822 (E_RNA) where: Base-Base interactions energy: -16.418 where: short stacking energy: -15.499 Base-Backbone interact. energy: -0.122 local terms energy: -28.663941 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.768 flat angles C4'-P-C4' energy: -6.539 flat angles P-C4'-P energy: -5.833 tors. eta vs tors. theta energy: -2.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -53.204207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.204207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.204207 (E_RNA) where: Base-Base interactions energy: -22.428 where: short stacking energy: -21.713 Base-Backbone interact. energy: -0.473 local terms energy: -30.303100 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.216 flat angles P-C4'-P energy: -4.201 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: 7, replica: 1 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -47.949416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.949416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.949416 (E_RNA) where: Base-Base interactions energy: -17.943 where: short stacking energy: -17.943 Base-Backbone interact. energy: -0.034 local terms energy: -29.971536 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.714 flat angles P-C4'-P energy: -3.895 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: 8, replica: 9 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -41.128501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.128501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.128501 (E_RNA) where: Base-Base interactions energy: -16.737 where: short stacking energy: -14.183 Base-Backbone interact. energy: -0.063 local terms energy: -24.328304 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -4.768 flat angles P-C4'-P energy: -5.104 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: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -41.734147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.734147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.734147 (E_RNA) where: Base-Base interactions energy: -14.150 where: short stacking energy: -14.150 Base-Backbone interact. energy: -0.618 local terms energy: -26.966264 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -6.122 flat angles C4'-P-C4' energy: -8.556 flat angles P-C4'-P energy: -3.486 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: 10, replica: 2 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -42.393995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.393995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.393995 (E_RNA) where: Base-Base interactions energy: -13.660 where: short stacking energy: -13.660 Base-Backbone interact. energy: 0.268 local terms energy: -29.002315 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.382 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: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -63.028910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.028910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.028910 (E_RNA) where: Base-Base interactions energy: -29.119 where: short stacking energy: -19.725 Base-Backbone interact. energy: -0.071 local terms energy: -33.839122 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -68.119423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.119423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.119423 (E_RNA) where: Base-Base interactions energy: -31.638 where: short stacking energy: -25.785 Base-Backbone interact. energy: -0.002 local terms energy: -36.479054 where: bonds (distance) C4'-P energy: -7.647 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.336 flat angles P-C4'-P energy: -6.516 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: 3, replica: 6 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -59.036400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.036400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.036400 (E_RNA) where: Base-Base interactions energy: -28.472 where: short stacking energy: -28.572 Base-Backbone interact. energy: -0.020 local terms energy: -30.544733 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -6.134 flat angles P-C4'-P energy: -6.271 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -53.113555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.113555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.113555 (E_RNA) where: Base-Base interactions energy: -20.573 where: short stacking energy: -19.155 Base-Backbone interact. energy: -0.100 local terms energy: -32.440910 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -7.118 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -5.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -47.585378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.585378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.585378 (E_RNA) where: Base-Base interactions energy: -22.344 where: short stacking energy: -22.044 Base-Backbone interact. energy: -0.099 local terms energy: -25.142987 where: bonds (distance) C4'-P energy: -5.033 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.140 flat angles P-C4'-P energy: -6.069 tors. eta vs tors. theta energy: -1.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -50.998154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.998154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.998154 (E_RNA) where: Base-Base interactions energy: -24.344 where: short stacking energy: -15.245 Base-Backbone interact. energy: -0.041 local terms energy: -26.613336 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.583 flat angles C4'-P-C4' energy: -6.173 flat angles P-C4'-P energy: -3.928 tors. eta vs tors. theta energy: -1.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -56.494699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.494699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.494699 (E_RNA) where: Base-Base interactions energy: -24.558 where: short stacking energy: -24.558 Base-Backbone interact. energy: -0.000 local terms energy: -31.936829 where: bonds (distance) C4'-P energy: -5.733 bonds (distance) P-C4' energy: -7.628 flat angles C4'-P-C4' energy: -6.621 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -5.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -44.667648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.667648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.667648 (E_RNA) where: Base-Base interactions energy: -18.541 where: short stacking energy: -18.039 Base-Backbone interact. energy: -0.016 local terms energy: -26.110596 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.239 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: 9, replica: 9 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -41.334507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.334507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.334507 (E_RNA) where: Base-Base interactions energy: -10.372 where: short stacking energy: -10.372 Base-Backbone interact. energy: -0.003 local terms energy: -30.959305 where: bonds (distance) C4'-P energy: -6.992 bonds (distance) P-C4' energy: -7.119 flat angles C4'-P-C4' energy: -8.330 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -3.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -40.155118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.155118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.155118 (E_RNA) where: Base-Base interactions energy: -13.065 where: short stacking energy: -13.065 Base-Backbone interact. energy: -0.106 local terms energy: -26.984653 where: bonds (distance) C4'-P energy: -4.027 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -5.628 flat angles P-C4'-P energy: -6.847 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -66.968929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.968929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.968929 (E_RNA) where: Base-Base interactions energy: -29.483 where: short stacking energy: -29.483 Base-Backbone interact. energy: -0.037 local terms energy: -37.448958 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -6.872 tors. eta vs tors. theta energy: -7.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -60.073290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.073290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.073290 (E_RNA) where: Base-Base interactions energy: -24.468 where: short stacking energy: -23.894 Base-Backbone interact. energy: -0.041 local terms energy: -35.563821 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -6.827 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -49.745020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.745020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.745020 (E_RNA) where: Base-Base interactions energy: -20.096 where: short stacking energy: -20.096 Base-Backbone interact. energy: -0.000 local terms energy: -29.648916 where: bonds (distance) C4'-P energy: -6.934 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -3.000 tors. eta vs tors. theta energy: -5.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -57.319445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.319445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.319445 (E_RNA) where: Base-Base interactions energy: -28.483 where: short stacking energy: -28.483 Base-Backbone interact. energy: -0.001 local terms energy: -28.834522 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -7.234 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -1.773 tors. eta vs tors. theta energy: -7.194 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: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -52.234184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.234184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.234184 (E_RNA) where: Base-Base interactions energy: -23.952 where: short stacking energy: -20.605 Base-Backbone interact. energy: -0.044 local terms energy: -28.238527 where: bonds (distance) C4'-P energy: -6.541 bonds (distance) P-C4' energy: -5.810 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -6.606 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: 6, replica: 7 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -50.585004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.585004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.585004 (E_RNA) where: Base-Base interactions energy: -15.490 where: short stacking energy: -15.362 Base-Backbone interact. energy: -1.276 local terms energy: -33.818423 where: bonds (distance) C4'-P energy: -5.341 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -6.321 tors. eta vs tors. theta energy: -5.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -51.516356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.516356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.516356 (E_RNA) where: Base-Base interactions energy: -16.825 where: short stacking energy: -16.589 Base-Backbone interact. energy: -0.060 local terms energy: -34.631454 where: bonds (distance) C4'-P energy: -7.709 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -6.937 flat angles P-C4'-P energy: -6.391 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: 8, replica: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -48.441191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.441191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.441191 (E_RNA) where: Base-Base interactions energy: -21.820 where: short stacking energy: -21.820 Base-Backbone interact. energy: -0.095 local terms energy: -26.526221 where: bonds (distance) C4'-P energy: -5.775 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -2.822 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -46.408696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.408696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.408696 (E_RNA) where: Base-Base interactions energy: -15.587 where: short stacking energy: -15.587 Base-Backbone interact. energy: -0.012 local terms energy: -30.809262 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -5.738 tors. eta vs tors. theta energy: -3.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -41.889022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.889022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.889022 (E_RNA) where: Base-Base interactions energy: -12.521 where: short stacking energy: -12.521 Base-Backbone interact. energy: -0.000 local terms energy: -29.367733 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -5.474 flat angles P-C4'-P energy: -4.826 tors. eta vs tors. theta energy: -1.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -73.013539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.013539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.013539 (E_RNA) where: Base-Base interactions energy: -33.663 where: short stacking energy: -33.663 Base-Backbone interact. energy: -0.000 local terms energy: -39.350300 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.661 flat angles C4'-P-C4' energy: -6.761 flat angles P-C4'-P energy: -5.472 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -62.721250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.721250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.721250 (E_RNA) where: Base-Base interactions energy: -26.535 where: short stacking energy: -26.535 Base-Backbone interact. energy: 0.114 local terms energy: -36.300245 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -7.572 flat angles C4'-P-C4' energy: -6.886 flat angles P-C4'-P energy: -6.702 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: 3, replica: 10 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -56.945075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.945075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.945075 (E_RNA) where: Base-Base interactions energy: -21.872 where: short stacking energy: -21.872 Base-Backbone interact. energy: -0.022 local terms energy: -35.051019 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -8.526 flat angles P-C4'-P energy: -5.037 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: 4, replica: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -56.940840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.940840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.940840 (E_RNA) where: Base-Base interactions energy: -20.908 where: short stacking energy: -20.908 Base-Backbone interact. energy: -0.229 local terms energy: -35.804116 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -8.275 flat angles P-C4'-P energy: -5.709 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: 5, replica: 6 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -53.225907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.225907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.225907 (E_RNA) where: Base-Base interactions energy: -21.863 where: short stacking energy: -21.294 Base-Backbone interact. energy: 0.092 local terms energy: -31.455083 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -2.993 tors. eta vs tors. theta energy: -4.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -55.254663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.254663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.254663 (E_RNA) where: Base-Base interactions energy: -22.756 where: short stacking energy: -22.756 Base-Backbone interact. energy: 0.722 local terms energy: -33.221303 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.630 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -3.733 tors. eta vs tors. theta energy: -5.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -46.891083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.891083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.891083 (E_RNA) where: Base-Base interactions energy: -22.812 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.804 local terms energy: -23.274457 where: bonds (distance) C4'-P energy: -6.362 bonds (distance) P-C4' energy: -5.346 flat angles C4'-P-C4' energy: -6.673 flat angles P-C4'-P energy: -3.367 tors. eta vs tors. theta energy: -1.526 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: 2 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -42.417268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.417268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.417268 (E_RNA) where: Base-Base interactions energy: -13.536 where: short stacking energy: -13.536 Base-Backbone interact. energy: -0.008 local terms energy: -28.872736 where: bonds (distance) C4'-P energy: -6.351 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.391 flat angles P-C4'-P energy: -4.575 tors. eta vs tors. theta energy: -3.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -39.883534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.883534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.883534 (E_RNA) where: Base-Base interactions energy: -16.437 where: short stacking energy: -16.437 Base-Backbone interact. energy: -0.191 local terms energy: -23.255315 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -3.579 flat angles C4'-P-C4' energy: -7.369 flat angles P-C4'-P energy: -1.605 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: 10, replica: 9 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -39.371093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.371093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.371093 (E_RNA) where: Base-Base interactions energy: -12.044 where: short stacking energy: -11.307 Base-Backbone interact. energy: -0.028 local terms energy: -27.299256 where: bonds (distance) C4'-P energy: -6.736 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -4.482 tors. eta vs tors. theta energy: -1.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -66.090734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.090734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.090734 (E_RNA) where: Base-Base interactions energy: -35.574 where: short stacking energy: -12.959 Base-Backbone interact. energy: -0.370 local terms energy: -30.146645 where: bonds (distance) C4'-P energy: -6.081 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.036 flat angles P-C4'-P energy: -5.140 tors. eta vs tors. theta energy: -1.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -66.867058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.867058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.867058 (E_RNA) where: Base-Base interactions energy: -30.223 where: short stacking energy: -30.223 Base-Backbone interact. energy: -0.000 local terms energy: -36.643723 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.668 flat angles C4'-P-C4' energy: -7.509 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -77.258429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.258429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.258429 (E_RNA) where: Base-Base interactions energy: -44.105 where: short stacking energy: -27.370 Base-Backbone interact. energy: -0.101 local terms energy: -33.051763 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.362 flat angles P-C4'-P energy: -4.498 tors. eta vs tors. theta energy: -8.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -60.866207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.866207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.866207 (E_RNA) where: Base-Base interactions energy: -23.986 where: short stacking energy: -23.986 Base-Backbone interact. energy: -0.000 local terms energy: -36.879781 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.213 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -52.202860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.202860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.202860 (E_RNA) where: Base-Base interactions energy: -21.643 where: short stacking energy: -18.720 Base-Backbone interact. energy: -0.025 local terms energy: -30.534996 where: bonds (distance) C4'-P energy: -6.061 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.277 flat angles P-C4'-P energy: -6.730 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: 6, replica: 6 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -47.242631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.242631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.242631 (E_RNA) where: Base-Base interactions energy: -16.067 where: short stacking energy: -15.678 Base-Backbone interact. energy: -0.005 local terms energy: -31.170516 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -8.119 flat angles P-C4'-P energy: -4.391 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: 2 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -40.001899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.001899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.001899 (E_RNA) where: Base-Base interactions energy: -10.237 where: short stacking energy: -10.237 Base-Backbone interact. energy: -0.035 local terms energy: -29.730095 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -6.477 flat angles P-C4'-P energy: -3.665 tors. eta vs tors. theta energy: -2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -48.225774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.225774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.225774 (E_RNA) where: Base-Base interactions energy: -18.571 where: short stacking energy: -14.835 Base-Backbone interact. energy: -0.037 local terms energy: -29.617857 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -3.799 flat angles P-C4'-P energy: -6.302 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: 9, replica: 9 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -48.821316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.821316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.821316 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -16.319 Base-Backbone interact. energy: -0.041 local terms energy: -30.132091 where: bonds (distance) C4'-P energy: -5.643 bonds (distance) P-C4' energy: -7.956 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -4.073 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: 10, replica: 4 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -39.829176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.829176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.829176 (E_RNA) where: Base-Base interactions energy: -12.835 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.107 local terms energy: -26.887409 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.930 flat angles P-C4'-P energy: -3.501 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: 5 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -68.484017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.484017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.484017 (E_RNA) where: Base-Base interactions energy: -38.995 where: short stacking energy: -23.791 Base-Backbone interact. energy: -0.016 local terms energy: -29.473051 where: bonds (distance) C4'-P energy: -6.636 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.456 flat angles P-C4'-P energy: -3.412 tors. eta vs tors. theta energy: -4.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -62.689091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.689091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.689091 (E_RNA) where: Base-Base interactions energy: -27.532 where: short stacking energy: -26.989 Base-Backbone interact. energy: -0.008 local terms energy: -35.149147 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -7.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -64.828339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.828339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.828339 (E_RNA) where: Base-Base interactions energy: -26.679 where: short stacking energy: -18.180 Base-Backbone interact. energy: -0.177 local terms energy: -37.972108 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -7.531 flat angles C4'-P-C4' energy: -8.583 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -8.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -65.872809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.872809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.872809 (E_RNA) where: Base-Base interactions energy: -30.017 where: short stacking energy: -30.017 Base-Backbone interact. energy: -0.000 local terms energy: -35.855979 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.857 flat angles P-C4'-P energy: -1.697 tors. eta vs tors. theta energy: -9.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -51.279634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.279634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.279634 (E_RNA) where: Base-Base interactions energy: -20.519 where: short stacking energy: -20.519 Base-Backbone interact. energy: -0.000 local terms energy: -30.760193 where: bonds (distance) C4'-P energy: -7.090 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -5.394 flat angles P-C4'-P energy: -4.662 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: 6, replica: 2 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -43.290208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.290208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.290208 (E_RNA) where: Base-Base interactions energy: -16.469 where: short stacking energy: -14.477 Base-Backbone interact. energy: -0.273 local terms energy: -26.547772 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -7.843 flat angles C4'-P-C4' energy: -6.687 flat angles P-C4'-P energy: -2.608 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: 6 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -46.467928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.467928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.467928 (E_RNA) where: Base-Base interactions energy: -17.673 where: short stacking energy: -15.876 Base-Backbone interact. energy: -0.021 local terms energy: -28.774609 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -6.604 flat angles P-C4'-P energy: -5.783 tors. eta vs tors. theta energy: -1.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -43.592849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.592849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.592849 (E_RNA) where: Base-Base interactions energy: -18.942 where: short stacking energy: -18.942 Base-Backbone interact. energy: -0.067 local terms energy: -24.584015 where: bonds (distance) C4'-P energy: -6.601 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -4.272 flat angles P-C4'-P energy: -4.344 tors. eta vs tors. theta energy: -3.634 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: 7 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -40.270104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.270104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.270104 (E_RNA) where: Base-Base interactions energy: -10.102 where: short stacking energy: -9.446 Base-Backbone interact. energy: -0.016 local terms energy: -30.152098 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -4.138 flat angles P-C4'-P energy: -5.907 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -42.516376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.516376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.516376 (E_RNA) where: Base-Base interactions energy: -19.842 where: short stacking energy: -11.511 Base-Backbone interact. energy: -0.099 local terms energy: -22.575583 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -4.769 flat angles C4'-P-C4' energy: -5.964 flat angles P-C4'-P energy: -2.713 tors. eta vs tors. theta energy: -3.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -73.489968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.489968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.489968 (E_RNA) where: Base-Base interactions energy: -39.556 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.026 local terms energy: -33.907837 where: bonds (distance) C4'-P energy: -6.188 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -5.801 flat angles P-C4'-P energy: -6.184 tors. eta vs tors. theta energy: -6.176 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: 364 Temperature: 0.950000 Total energy: -82.846434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.846434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.846434 (E_RNA) where: Base-Base interactions energy: -48.529 where: short stacking energy: -31.219 Base-Backbone interact. energy: -0.002 local terms energy: -34.315522 where: bonds (distance) C4'-P energy: -6.788 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -4.533 tors. eta vs tors. theta energy: -7.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -62.005757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.005757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.005757 (E_RNA) where: Base-Base interactions energy: -30.193 where: short stacking energy: -19.809 Base-Backbone interact. energy: -0.455 local terms energy: -31.357914 where: bonds (distance) C4'-P energy: -6.747 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.040 flat angles P-C4'-P energy: -5.613 tors. eta vs tors. theta energy: -2.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -56.655211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.655211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.655211 (E_RNA) where: Base-Base interactions energy: -23.044 where: short stacking energy: -23.044 Base-Backbone interact. energy: -0.000 local terms energy: -33.611078 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -3.915 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: 2 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -56.875485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.875485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.875485 (E_RNA) where: Base-Base interactions energy: -23.516 where: short stacking energy: -23.516 Base-Backbone interact. energy: -0.000 local terms energy: -33.358761 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -9.327 flat angles P-C4'-P energy: -3.843 tors. eta vs tors. theta energy: -5.320 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: 6, replica: 10 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -47.906815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.906815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.906815 (E_RNA) where: Base-Base interactions energy: -19.128 where: short stacking energy: -19.128 Base-Backbone interact. energy: -0.047 local terms energy: -28.732110 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -2.566 tors. eta vs tors. theta energy: -3.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -45.494083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.494083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.494083 (E_RNA) where: Base-Base interactions energy: -14.589 where: short stacking energy: -13.572 Base-Backbone interact. energy: -0.004 local terms energy: -30.901148 where: bonds (distance) C4'-P energy: -6.875 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -7.543 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: 8, replica: 6 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -52.037573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.037573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.037573 (E_RNA) where: Base-Base interactions energy: -22.700 where: short stacking energy: -17.971 Base-Backbone interact. energy: -0.006 local terms energy: -29.331636 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.320 flat angles P-C4'-P energy: -2.060 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: 9, replica: 4 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -40.415755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.415755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.415755 (E_RNA) where: Base-Base interactions energy: -13.022 where: short stacking energy: -13.022 Base-Backbone interact. energy: -0.010 local terms energy: -27.383257 where: bonds (distance) C4'-P energy: -5.659 bonds (distance) P-C4' energy: -5.943 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -5.040 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: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -42.098892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.098892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.098892 (E_RNA) where: Base-Base interactions energy: -13.665 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.000 local terms energy: -28.433713 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -5.010 flat angles P-C4'-P energy: -6.610 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: 1, replica: 5 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -73.525150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.525150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.525150 (E_RNA) where: Base-Base interactions energy: -42.825 where: short stacking energy: -10.297 Base-Backbone interact. energy: -0.479 local terms energy: -30.221325 where: bonds (distance) C4'-P energy: -7.390 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.803 flat angles P-C4'-P energy: -5.199 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: 2, replica: 8 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -80.189172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.189172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.189172 (E_RNA) where: Base-Base interactions energy: -43.260 where: short stacking energy: -29.192 Base-Backbone interact. energy: -0.008 local terms energy: -36.921602 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -8.289 flat angles P-C4'-P energy: -4.360 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: 3, replica: 1 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -61.009018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.009018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.009018 (E_RNA) where: Base-Base interactions energy: -33.278 where: short stacking energy: -20.726 Base-Backbone interact. energy: -0.004 local terms energy: -27.727408 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -6.128 flat angles P-C4'-P energy: -5.181 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -64.125171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.125171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.125171 (E_RNA) where: Base-Base interactions energy: -28.590 where: short stacking energy: -28.590 Base-Backbone interact. energy: -0.000 local terms energy: -35.535203 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -7.608 flat angles P-C4'-P energy: -4.357 tors. eta vs tors. theta energy: -6.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -66.375009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.375009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.375009 (E_RNA) where: Base-Base interactions energy: -34.804 where: short stacking energy: -34.804 Base-Backbone interact. energy: -0.000 local terms energy: -31.570677 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -5.777 flat angles P-C4'-P energy: -4.297 tors. eta vs tors. theta energy: -9.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -55.921272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.921272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.921272 (E_RNA) where: Base-Base interactions energy: -25.331 where: short stacking energy: -24.720 Base-Backbone interact. energy: -0.000 local terms energy: -30.589921 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -6.142 flat angles P-C4'-P energy: -5.388 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -46.429717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.429717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.429717 (E_RNA) where: Base-Base interactions energy: -21.756 where: short stacking energy: -19.857 Base-Backbone interact. energy: -0.004 local terms energy: -24.669402 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -4.428 flat angles P-C4'-P energy: -1.459 tors. eta vs tors. theta energy: -2.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -52.815735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.815735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.815735 (E_RNA) where: Base-Base interactions energy: -27.373 where: short stacking energy: -26.516 Base-Backbone interact. energy: -0.001 local terms energy: -25.441598 where: bonds (distance) C4'-P energy: -2.749 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.503 flat angles P-C4'-P energy: 0.437 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: 9, replica: 6 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -39.747366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.747366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.747366 (E_RNA) where: Base-Base interactions energy: -11.345 where: short stacking energy: -11.345 Base-Backbone interact. energy: -0.043 local terms energy: -28.359379 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.001 flat angles P-C4'-P energy: -5.679 tors. eta vs tors. theta energy: -2.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -40.701150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.701150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.701150 (E_RNA) where: Base-Base interactions energy: -10.891 where: short stacking energy: -10.891 Base-Backbone interact. energy: -0.043 local terms energy: -29.767088 where: bonds (distance) C4'-P energy: -8.420 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -3.425 flat angles P-C4'-P energy: -6.248 tors. eta vs tors. theta energy: -3.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -79.901664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.901664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.901664 (E_RNA) where: Base-Base interactions energy: -45.564 where: short stacking energy: -24.402 Base-Backbone interact. energy: -0.000 local terms energy: -34.337131 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -8.171 flat angles P-C4'-P energy: -6.269 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -81.432143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.432143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.432143 (E_RNA) where: Base-Base interactions energy: -48.588 where: short stacking energy: -21.184 Base-Backbone interact. energy: -0.020 local terms energy: -32.824779 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -6.867 flat angles P-C4'-P energy: -3.536 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: 2 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -59.247089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.247089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.247089 (E_RNA) where: Base-Base interactions energy: -26.343 where: short stacking energy: -26.343 Base-Backbone interact. energy: -0.002 local terms energy: -32.901252 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -3.878 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: 4, replica: 1 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -60.674268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.674268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.674268 (E_RNA) where: Base-Base interactions energy: -25.870 where: short stacking energy: -25.870 Base-Backbone interact. energy: -0.000 local terms energy: -34.804362 where: bonds (distance) C4'-P energy: -7.257 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -7.281 flat angles P-C4'-P energy: -4.163 tors. eta vs tors. theta energy: -6.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -53.667246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.667246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.667246 (E_RNA) where: Base-Base interactions energy: -21.864 where: short stacking energy: -21.864 Base-Backbone interact. energy: -0.004 local terms energy: -31.798351 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -5.988 flat angles C4'-P-C4' energy: -8.122 flat angles P-C4'-P energy: -5.689 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: 3 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -53.314782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.314782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.314782 (E_RNA) where: Base-Base interactions energy: -21.560 where: short stacking energy: -20.358 Base-Backbone interact. energy: -0.030 local terms energy: -31.724638 where: bonds (distance) C4'-P energy: -4.694 bonds (distance) P-C4' energy: -8.178 flat angles C4'-P-C4' energy: -7.176 flat angles P-C4'-P energy: -5.515 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: 7, replica: 10 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -45.499478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.499478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.499478 (E_RNA) where: Base-Base interactions energy: -14.294 where: short stacking energy: -14.294 Base-Backbone interact. energy: -0.003 local terms energy: -31.202292 where: bonds (distance) C4'-P energy: -5.854 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -8.361 flat angles P-C4'-P energy: -6.526 tors. eta vs tors. theta energy: -2.703 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: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -43.573226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.573226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.573226 (E_RNA) where: Base-Base interactions energy: -15.402 where: short stacking energy: -15.402 Base-Backbone interact. energy: -0.011 local terms energy: -28.159282 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -4.803 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: 9, replica: 7 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -44.160622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.160622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.160622 (E_RNA) where: Base-Base interactions energy: -13.990 where: short stacking energy: -12.644 Base-Backbone interact. energy: -0.078 local terms energy: -30.092563 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -5.647 flat angles C4'-P-C4' energy: -7.526 flat angles P-C4'-P energy: -5.354 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: 10, replica: 6 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -43.439383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.439383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.439383 (E_RNA) where: Base-Base interactions energy: -19.707 where: short stacking energy: -14.763 Base-Backbone interact. energy: -0.001 local terms energy: -23.730759 where: bonds (distance) C4'-P energy: -6.611 bonds (distance) P-C4' energy: -6.460 flat angles C4'-P-C4' energy: -6.113 flat angles P-C4'-P energy: -0.741 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -73.390319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.390319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.390319 (E_RNA) where: Base-Base interactions energy: -32.486 where: short stacking energy: -30.849 Base-Backbone interact. energy: -0.338 local terms energy: -40.566268 where: bonds (distance) C4'-P energy: -7.221 bonds (distance) P-C4' energy: -8.650 flat angles C4'-P-C4' energy: -9.638 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -9.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -74.528168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.528168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.528168 (E_RNA) where: Base-Base interactions energy: -41.232 where: short stacking energy: -13.492 Base-Backbone interact. energy: 0.051 local terms energy: -33.346805 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -8.400 flat angles P-C4'-P energy: -4.357 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: 3, replica: 2 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -54.388473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.388473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.388473 (E_RNA) where: Base-Base interactions energy: -21.605 where: short stacking energy: -21.605 Base-Backbone interact. energy: -0.015 local terms energy: -32.768444 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.962 flat angles P-C4'-P energy: -4.969 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: 4, replica: 1 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -54.851125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.851125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.851125 (E_RNA) where: Base-Base interactions energy: -22.506 where: short stacking energy: -21.053 Base-Backbone interact. energy: -0.103 local terms energy: -32.242586 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -6.367 flat angles P-C4'-P energy: -5.381 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: 9 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -62.809701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.809701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.809701 (E_RNA) where: Base-Base interactions energy: -26.844 where: short stacking energy: -26.844 Base-Backbone interact. energy: -0.000 local terms energy: -35.965348 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.181 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -7.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -49.117393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.117393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.117393 (E_RNA) where: Base-Base interactions energy: -21.199 where: short stacking energy: -21.199 Base-Backbone interact. energy: -0.006 local terms energy: -27.912597 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -3.617 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: 10 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -46.284826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.284826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.284826 (E_RNA) where: Base-Base interactions energy: -17.696 where: short stacking energy: -14.153 Base-Backbone interact. energy: -0.004 local terms energy: -28.585073 where: bonds (distance) C4'-P energy: -7.298 bonds (distance) P-C4' energy: -7.340 flat angles C4'-P-C4' energy: -7.900 flat angles P-C4'-P energy: -4.588 tors. eta vs tors. theta energy: -1.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -46.021768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.021768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.021768 (E_RNA) where: Base-Base interactions energy: -16.786 where: short stacking energy: -16.786 Base-Backbone interact. energy: -0.005 local terms energy: -29.230486 where: bonds (distance) C4'-P energy: -5.063 bonds (distance) P-C4' energy: -6.765 flat angles C4'-P-C4' energy: -4.321 flat angles P-C4'-P energy: -6.545 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: 9, replica: 4 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -39.304899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.304899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.304899 (E_RNA) where: Base-Base interactions energy: -15.533 where: short stacking energy: -7.590 Base-Backbone interact. energy: -0.074 local terms energy: -23.697400 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.284 flat angles C4'-P-C4' energy: -5.990 flat angles P-C4'-P energy: -3.780 tors. eta vs tors. theta energy: 1.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -47.244369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.244369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.244369 (E_RNA) where: Base-Base interactions energy: -25.061 where: short stacking energy: -14.110 Base-Backbone interact. energy: -0.500 local terms energy: -21.683253 where: bonds (distance) C4'-P energy: -6.591 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -1.927 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: 8 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -73.366241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.366241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.366241 (E_RNA) where: Base-Base interactions energy: -34.264 where: short stacking energy: -30.959 Base-Backbone interact. energy: -0.000 local terms energy: -39.102636 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.438 flat angles P-C4'-P energy: -4.920 tors. eta vs tors. theta energy: -11.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -73.153054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.153054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.153054 (E_RNA) where: Base-Base interactions energy: -42.011 where: short stacking energy: -16.071 Base-Backbone interact. energy: -0.038 local terms energy: -31.104527 where: bonds (distance) C4'-P energy: -6.707 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -5.411 flat angles P-C4'-P energy: -6.170 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: 3, replica: 1 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -56.562929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.562929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.562929 (E_RNA) where: Base-Base interactions energy: -24.112 where: short stacking energy: -20.499 Base-Backbone interact. energy: 0.534 local terms energy: -32.984600 where: bonds (distance) C4'-P energy: -8.590 bonds (distance) P-C4' energy: -7.526 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -3.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -54.973500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.973500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.973500 (E_RNA) where: Base-Base interactions energy: -24.413 where: short stacking energy: -24.413 Base-Backbone interact. energy: -0.000 local terms energy: -30.560478 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -7.541 flat angles C4'-P-C4' energy: -5.331 flat angles P-C4'-P energy: -3.354 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: 5, replica: 3 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -57.517287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.517287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.517287 (E_RNA) where: Base-Base interactions energy: -22.945 where: short stacking energy: -22.945 Base-Backbone interact. energy: -0.100 local terms energy: -34.472041 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -6.206 flat angles P-C4'-P energy: -3.936 tors. eta vs tors. theta energy: -8.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -46.512087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.512087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.512087 (E_RNA) where: Base-Base interactions energy: -15.863 where: short stacking energy: -15.863 Base-Backbone interact. energy: -0.008 local terms energy: -30.641858 where: bonds (distance) C4'-P energy: -5.323 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -4.965 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: 7, replica: 7 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -51.365740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.365740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.365740 (E_RNA) where: Base-Base interactions energy: -18.329 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.059 local terms energy: -32.977863 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.121 flat angles P-C4'-P energy: -4.888 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: 10 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -52.584236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.584236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.584236 (E_RNA) where: Base-Base interactions energy: -21.931 where: short stacking energy: -21.931 Base-Backbone interact. energy: -0.002 local terms energy: -30.651310 where: bonds (distance) C4'-P energy: -6.863 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -3.239 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -45.778601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.778601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.778601 (E_RNA) where: Base-Base interactions energy: -16.064 where: short stacking energy: -16.064 Base-Backbone interact. energy: -0.084 local terms energy: -29.631145 where: bonds (distance) C4'-P energy: -6.677 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -5.324 tors. eta vs tors. theta energy: -5.741 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: 4 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -40.539185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.539185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.539185 (E_RNA) where: Base-Base interactions energy: -16.467 where: short stacking energy: -13.583 Base-Backbone interact. energy: -0.003 local terms energy: -24.069211 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -5.632 flat angles P-C4'-P energy: -3.765 tors. eta vs tors. theta energy: 0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -78.584632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.584632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.584632 (E_RNA) where: Base-Base interactions energy: -42.109 where: short stacking energy: -28.461 Base-Backbone interact. energy: -0.007 local terms energy: -36.468830 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -5.601 flat angles P-C4'-P energy: -6.675 tors. eta vs tors. theta energy: -7.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -64.609050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.609050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.609050 (E_RNA) where: Base-Base interactions energy: -26.857 where: short stacking energy: -26.857 Base-Backbone interact. energy: -0.000 local terms energy: -37.752214 where: bonds (distance) C4'-P energy: -8.958 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -8.227 flat angles P-C4'-P energy: -4.012 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: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -57.976383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.976383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.976383 (E_RNA) where: Base-Base interactions energy: -26.529 where: short stacking energy: -19.264 Base-Backbone interact. energy: -0.000 local terms energy: -31.447357 where: bonds (distance) C4'-P energy: -6.297 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: -8.429 flat angles P-C4'-P energy: -3.472 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: 4, replica: 2 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -64.068831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.068831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.068831 (E_RNA) where: Base-Base interactions energy: -26.600 where: short stacking energy: -26.600 Base-Backbone interact. energy: -0.000 local terms energy: -37.468857 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -9.026 flat angles P-C4'-P energy: -4.392 tors. eta vs tors. theta energy: -8.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -51.314315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.314315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.314315 (E_RNA) where: Base-Base interactions energy: -23.283 where: short stacking energy: -23.283 Base-Backbone interact. energy: 0.909 local terms energy: -28.940525 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -3.486 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: 6, replica: 7 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -50.660183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.660183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.660183 (E_RNA) where: Base-Base interactions energy: -23.106 where: short stacking energy: -18.855 Base-Backbone interact. energy: -0.012 local terms energy: -27.542153 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -5.092 flat angles C4'-P-C4' energy: -5.503 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -5.049 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: 9 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -55.770228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.770228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.770228 (E_RNA) where: Base-Base interactions energy: -22.458 where: short stacking energy: -22.458 Base-Backbone interact. energy: -0.020 local terms energy: -33.292163 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.592 flat angles P-C4'-P energy: -6.817 tors. eta vs tors. theta energy: -4.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -43.444943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.444943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.444943 (E_RNA) where: Base-Base interactions energy: -11.922 where: short stacking energy: -11.600 Base-Backbone interact. energy: -0.000 local terms energy: -31.522476 where: bonds (distance) C4'-P energy: -5.439 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -6.246 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: 10 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -55.935829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.935829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.935829 (E_RNA) where: Base-Base interactions energy: -25.717 where: short stacking energy: -21.516 Base-Backbone interact. energy: -0.004 local terms energy: -30.214584 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -3.661 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: 10, replica: 4 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -45.647111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.647111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.647111 (E_RNA) where: Base-Base interactions energy: -22.852 where: short stacking energy: -13.056 Base-Backbone interact. energy: -0.229 local terms energy: -22.566639 where: bonds (distance) C4'-P energy: -5.108 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -5.240 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -84.727075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.727075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.727075 (E_RNA) where: Base-Base interactions energy: -49.842 where: short stacking energy: -29.717 Base-Backbone interact. energy: -0.010 local terms energy: -34.875032 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.077 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -60.642103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.642103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.642103 (E_RNA) where: Base-Base interactions energy: -25.112 where: short stacking energy: -25.112 Base-Backbone interact. energy: -0.000 local terms energy: -35.530312 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.034 flat angles P-C4'-P energy: -4.200 tors. eta vs tors. theta energy: -7.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -52.466337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.466337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.466337 (E_RNA) where: Base-Base interactions energy: -19.585 where: short stacking energy: -19.585 Base-Backbone interact. energy: -0.005 local terms energy: -32.875821 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -7.125 flat angles C4'-P-C4' energy: -6.566 flat angles P-C4'-P energy: -5.407 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -67.159258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.159258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.159258 (E_RNA) where: Base-Base interactions energy: -35.162 where: short stacking energy: -16.195 Base-Backbone interact. energy: -0.000 local terms energy: -31.996501 where: bonds (distance) C4'-P energy: -8.255 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -4.332 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: 5, replica: 3 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -54.049690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.049690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.049690 (E_RNA) where: Base-Base interactions energy: -21.484 where: short stacking energy: -21.484 Base-Backbone interact. energy: -0.015 local terms energy: -32.550909 where: bonds (distance) C4'-P energy: -6.068 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.118 flat angles P-C4'-P energy: -5.374 tors. eta vs tors. theta energy: -6.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -50.164409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.164409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.164409 (E_RNA) where: Base-Base interactions energy: -19.059 where: short stacking energy: -19.059 Base-Backbone interact. energy: -0.170 local terms energy: -30.934806 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.575 flat angles P-C4'-P energy: -4.928 tors. eta vs tors. theta energy: -4.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -44.555068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.555068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.555068 (E_RNA) where: Base-Base interactions energy: -17.263 where: short stacking energy: -17.263 Base-Backbone interact. energy: -0.000 local terms energy: -27.291776 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -7.826 flat angles C4'-P-C4' energy: -5.345 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -41.379475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.379475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.379475 (E_RNA) where: Base-Base interactions energy: -14.316 where: short stacking energy: -14.316 Base-Backbone interact. energy: -0.109 local terms energy: -26.954790 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: 0.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -47.806442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.806442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.806442 (E_RNA) where: Base-Base interactions energy: -18.438 where: short stacking energy: -13.487 Base-Backbone interact. energy: -0.193 local terms energy: -29.175371 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.349 flat angles P-C4'-P energy: -5.488 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -41.624892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.624892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.624892 (E_RNA) where: Base-Base interactions energy: -11.920 where: short stacking energy: -11.737 Base-Backbone interact. energy: -0.095 local terms energy: -29.609608 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -4.739 tors. eta vs tors. theta energy: -4.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -70.455873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.455873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.455873 (E_RNA) where: Base-Base interactions energy: -36.553 where: short stacking energy: -31.927 Base-Backbone interact. energy: -0.000 local terms energy: -33.902875 where: bonds (distance) C4'-P energy: -7.893 bonds (distance) P-C4' energy: -6.500 flat angles C4'-P-C4' energy: -6.409 flat angles P-C4'-P energy: -4.136 tors. eta vs tors. theta energy: -8.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -57.443703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.443703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.443703 (E_RNA) where: Base-Base interactions energy: -24.464 where: short stacking energy: -24.464 Base-Backbone interact. energy: -0.046 local terms energy: -32.933478 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -5.809 flat angles P-C4'-P energy: -6.822 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: 3, replica: 1 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -56.441673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.441673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.441673 (E_RNA) where: Base-Base interactions energy: -27.319 where: short stacking energy: -27.319 Base-Backbone interact. energy: -0.001 local terms energy: -29.122120 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -1.230 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: 4, replica: 3 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -51.881027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.881027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.881027 (E_RNA) where: Base-Base interactions energy: -24.566 where: short stacking energy: -20.170 Base-Backbone interact. energy: -0.059 local terms energy: -27.256646 where: bonds (distance) C4'-P energy: -5.873 bonds (distance) P-C4' energy: -5.409 flat angles C4'-P-C4' energy: -7.733 flat angles P-C4'-P energy: -4.898 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: 5, replica: 5 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -59.097952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.097952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.097952 (E_RNA) where: Base-Base interactions energy: -23.211 where: short stacking energy: -23.211 Base-Backbone interact. energy: -0.105 local terms energy: -35.781866 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.346 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.240 tors. eta vs tors. theta energy: -6.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -45.619841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.619841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.619841 (E_RNA) where: Base-Base interactions energy: -19.164 where: short stacking energy: -19.164 Base-Backbone interact. energy: 1.830 local terms energy: -28.286048 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.452 flat angles C4'-P-C4' energy: -7.377 flat angles P-C4'-P energy: -6.688 tors. eta vs tors. theta energy: -1.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -54.676669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.676669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.676669 (E_RNA) where: Base-Base interactions energy: -25.933 where: short stacking energy: -25.933 Base-Backbone interact. energy: -0.030 local terms energy: -28.713078 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -6.071 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -5.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -43.026116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.026116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.026116 (E_RNA) where: Base-Base interactions energy: -15.403 where: short stacking energy: -15.403 Base-Backbone interact. energy: -0.006 local terms energy: -27.616823 where: bonds (distance) C4'-P energy: -6.913 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -8.074 flat angles P-C4'-P energy: -5.521 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: 9, replica: 6 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -44.345874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.345874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.345874 (E_RNA) where: Base-Base interactions energy: -14.675 where: short stacking energy: -12.568 Base-Backbone interact. energy: -0.018 local terms energy: -29.653158 where: bonds (distance) C4'-P energy: -8.821 bonds (distance) P-C4' energy: -6.149 flat angles C4'-P-C4' energy: -8.606 flat angles P-C4'-P energy: -1.082 tors. eta vs tors. theta energy: -4.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -43.674876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.674876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.674876 (E_RNA) where: Base-Base interactions energy: -15.454 where: short stacking energy: -14.707 Base-Backbone interact. energy: -0.004 local terms energy: -28.216200 where: bonds (distance) C4'-P energy: -8.105 bonds (distance) P-C4' energy: -5.957 flat angles C4'-P-C4' energy: -7.104 flat angles P-C4'-P energy: -2.769 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: 1, replica: 2 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -65.225929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.225929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.225929 (E_RNA) where: Base-Base interactions energy: -29.105 where: short stacking energy: -29.105 Base-Backbone interact. energy: -0.000 local terms energy: -36.120484 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -4.868 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: 2, replica: 8 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -66.960180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.960180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.960180 (E_RNA) where: Base-Base interactions energy: -28.054 where: short stacking energy: -28.054 Base-Backbone interact. energy: -0.001 local terms energy: -38.905614 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -6.609 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -5.968 tors. eta vs tors. theta energy: -9.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -60.972659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.972659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.972659 (E_RNA) where: Base-Base interactions energy: -24.880 where: short stacking energy: -24.880 Base-Backbone interact. energy: -0.000 local terms energy: -36.092564 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -7.163 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -56.749195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.749195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.749195 (E_RNA) where: Base-Base interactions energy: -23.693 where: short stacking energy: -23.693 Base-Backbone interact. energy: -0.000 local terms energy: -33.056317 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.961 flat angles P-C4'-P energy: -5.380 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: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -54.792140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.792140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.792140 (E_RNA) where: Base-Base interactions energy: -23.642 where: short stacking energy: -23.642 Base-Backbone interact. energy: -0.035 local terms energy: -31.115697 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.832 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -6.779 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: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -55.516035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.516035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.516035 (E_RNA) where: Base-Base interactions energy: -21.224 where: short stacking energy: -21.224 Base-Backbone interact. energy: -0.021 local terms energy: -34.271637 where: bonds (distance) C4'-P energy: -6.599 bonds (distance) P-C4' energy: -7.302 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.422 tors. eta vs tors. theta energy: -7.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -53.886280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.886280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.886280 (E_RNA) where: Base-Base interactions energy: -20.599 where: short stacking energy: -20.599 Base-Backbone interact. energy: -0.007 local terms energy: -33.279850 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -6.466 flat angles P-C4'-P energy: -5.516 tors. eta vs tors. theta energy: -7.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -48.798109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.798109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.798109 (E_RNA) where: Base-Base interactions energy: -19.074 where: short stacking energy: -19.074 Base-Backbone interact. energy: -0.003 local terms energy: -29.720742 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -6.635 flat angles C4'-P-C4' energy: -6.177 flat angles P-C4'-P energy: -5.441 tors. eta vs tors. theta energy: -2.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -49.126671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.126671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.126671 (E_RNA) where: Base-Base interactions energy: -16.666 where: short stacking energy: -16.666 Base-Backbone interact. energy: -0.001 local terms energy: -32.460174 where: bonds (distance) C4'-P energy: -6.657 bonds (distance) P-C4' energy: -7.501 flat angles C4'-P-C4' energy: -7.451 flat angles P-C4'-P energy: -3.042 tors. eta vs tors. theta energy: -7.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -44.372887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.372887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.372887 (E_RNA) where: Base-Base interactions energy: -15.594 where: short stacking energy: -15.594 Base-Backbone interact. energy: -0.009 local terms energy: -28.768991 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -4.004 flat angles P-C4'-P energy: -4.396 tors. eta vs tors. theta energy: -4.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -64.131443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.131443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.131443 (E_RNA) where: Base-Base interactions energy: -26.772 where: short stacking energy: -23.396 Base-Backbone interact. energy: -1.622 local terms energy: -35.736804 where: bonds (distance) C4'-P energy: -7.116 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -4.492 tors. eta vs tors. theta energy: -7.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -63.758361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.758361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.758361 (E_RNA) where: Base-Base interactions energy: -26.426 where: short stacking energy: -26.426 Base-Backbone interact. energy: -0.000 local terms energy: -37.332462 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -5.716 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -5.833 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: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -54.938503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.938503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.938503 (E_RNA) where: Base-Base interactions energy: -20.719 where: short stacking energy: -20.719 Base-Backbone interact. energy: -0.006 local terms energy: -34.212869 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -7.794 flat angles P-C4'-P energy: -4.729 tors. eta vs tors. theta energy: -5.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -65.047852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.047852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.047852 (E_RNA) where: Base-Base interactions energy: -31.661 where: short stacking energy: -19.378 Base-Backbone interact. energy: -0.003 local terms energy: -33.383499 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -7.517 flat angles C4'-P-C4' energy: -7.217 flat angles P-C4'-P energy: -7.125 tors. eta vs tors. theta energy: -4.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -47.854615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.854615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.854615 (E_RNA) where: Base-Base interactions energy: -21.649 where: short stacking energy: -21.649 Base-Backbone interact. energy: -0.010 local terms energy: -26.195533 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -7.199 flat angles C4'-P-C4' energy: -5.515 flat angles P-C4'-P energy: -2.765 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: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -51.137032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.137032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.137032 (E_RNA) where: Base-Base interactions energy: -17.681 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.002 local terms energy: -33.454083 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.178 flat angles P-C4'-P energy: -4.625 tors. eta vs tors. theta energy: -4.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -47.720761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.720761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.720761 (E_RNA) where: Base-Base interactions energy: -18.765 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.000 local terms energy: -28.955819 where: bonds (distance) C4'-P energy: -2.956 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -8.026 flat angles P-C4'-P energy: -3.366 tors. eta vs tors. theta energy: -5.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -39.753581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.753581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.753581 (E_RNA) where: Base-Base interactions energy: -14.351 where: short stacking energy: -14.351 Base-Backbone interact. energy: -0.034 local terms energy: -25.368723 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: -2.574 tors. eta vs tors. theta energy: -0.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -49.178903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.178903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.178903 (E_RNA) where: Base-Base interactions energy: -20.020 where: short stacking energy: -8.885 Base-Backbone interact. energy: -1.053 local terms energy: -28.106094 where: bonds (distance) C4'-P energy: -5.406 bonds (distance) P-C4' energy: -8.604 flat angles C4'-P-C4' energy: -6.664 flat angles P-C4'-P energy: -5.159 tors. eta vs tors. theta energy: -2.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -43.460764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.460764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.460764 (E_RNA) where: Base-Base interactions energy: -11.948 where: short stacking energy: -11.948 Base-Backbone interact. energy: -0.103 local terms energy: -31.410706 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.872 flat angles P-C4'-P energy: -4.088 tors. eta vs tors. theta energy: -5.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -72.215375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.215375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.215375 (E_RNA) where: Base-Base interactions energy: -38.492 where: short stacking energy: -27.658 Base-Backbone interact. energy: -0.000 local terms energy: -33.723208 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -5.978 flat angles P-C4'-P energy: -5.396 tors. eta vs tors. theta energy: -7.123 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: 2, replica: 3 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -64.421869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.421869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.421869 (E_RNA) where: Base-Base interactions energy: -29.536 where: short stacking energy: -29.536 Base-Backbone interact. energy: -0.030 local terms energy: -34.855471 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.688 flat angles P-C4'-P energy: -4.124 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -73.813275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.813275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.813275 (E_RNA) where: Base-Base interactions energy: -35.905 where: short stacking energy: -26.478 Base-Backbone interact. energy: -0.075 local terms energy: -37.833826 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -8.297 flat angles P-C4'-P energy: -6.391 tors. eta vs tors. theta energy: -6.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -58.958100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.958100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.958100 (E_RNA) where: Base-Base interactions energy: -27.782 where: short stacking energy: -27.782 Base-Backbone interact. energy: -0.002 local terms energy: -31.174061 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -2.705 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: 5, replica: 1 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -52.849554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.849554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.849554 (E_RNA) where: Base-Base interactions energy: -24.053 where: short stacking energy: -24.053 Base-Backbone interact. energy: -0.000 local terms energy: -28.796463 where: bonds (distance) C4'-P energy: -6.938 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -0.262 tors. eta vs tors. theta energy: -4.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -47.958494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.958494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.958494 (E_RNA) where: Base-Base interactions energy: -18.198 where: short stacking energy: -18.198 Base-Backbone interact. energy: -0.015 local terms energy: -29.745041 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -6.106 flat angles C4'-P-C4' energy: -7.059 flat angles P-C4'-P energy: -2.888 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: 7, replica: 10 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -46.068833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.068833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.068833 (E_RNA) where: Base-Base interactions energy: -17.202 where: short stacking energy: -17.202 Base-Backbone interact. energy: -0.030 local terms energy: -28.837405 where: bonds (distance) C4'-P energy: -6.132 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -6.492 flat angles P-C4'-P energy: -4.407 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: 5 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -44.468651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.468651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.468651 (E_RNA) where: Base-Base interactions energy: -12.912 where: short stacking energy: -12.506 Base-Backbone interact. energy: -0.000 local terms energy: -31.556294 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.957 flat angles P-C4'-P energy: -5.589 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: 374 Temperature: 1.300000 Total energy: -47.651700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.651700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.651700 (E_RNA) where: Base-Base interactions energy: -18.721 where: short stacking energy: -18.721 Base-Backbone interact. energy: -0.002 local terms energy: -28.929044 where: bonds (distance) C4'-P energy: -4.185 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.529 flat angles P-C4'-P energy: -6.138 tors. eta vs tors. theta energy: -4.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -47.980875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.980875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.980875 (E_RNA) where: Base-Base interactions energy: -19.196 where: short stacking energy: -19.196 Base-Backbone interact. energy: -0.003 local terms energy: -28.782077 where: bonds (distance) C4'-P energy: -7.398 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -5.853 flat angles P-C4'-P energy: -2.474 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: 1, replica: 2 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -82.824773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.824773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.824773 (E_RNA) where: Base-Base interactions energy: -48.145 where: short stacking energy: -30.413 Base-Backbone interact. energy: -0.002 local terms energy: -34.677012 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -3.435 tors. eta vs tors. theta energy: -7.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -80.827484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.827484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.827484 (E_RNA) where: Base-Base interactions energy: -45.759 where: short stacking energy: -25.961 Base-Backbone interact. energy: -0.001 local terms energy: -35.066885 where: bonds (distance) C4'-P energy: -4.445 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.867 flat angles P-C4'-P energy: -6.190 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: 3, replica: 3 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -68.056959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.056959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.056959 (E_RNA) where: Base-Base interactions energy: -39.415 where: short stacking energy: -15.181 Base-Backbone interact. energy: -0.111 local terms energy: -28.531093 where: bonds (distance) C4'-P energy: -7.563 bonds (distance) P-C4' energy: -7.597 flat angles C4'-P-C4' energy: -6.778 flat angles P-C4'-P energy: -6.186 tors. eta vs tors. theta energy: -0.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -56.714523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.714523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.714523 (E_RNA) where: Base-Base interactions energy: -26.503 where: short stacking energy: -26.503 Base-Backbone interact. energy: -0.391 local terms energy: -29.820970 where: bonds (distance) C4'-P energy: -5.734 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.410 flat angles P-C4'-P energy: -6.375 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: 5, replica: 8 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -55.902135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.902135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.902135 (E_RNA) where: Base-Base interactions energy: -22.209 where: short stacking energy: -22.209 Base-Backbone interact. energy: -0.104 local terms energy: -33.590017 where: bonds (distance) C4'-P energy: -6.966 bonds (distance) P-C4' energy: -7.296 flat angles C4'-P-C4' energy: -6.896 flat angles P-C4'-P energy: -5.074 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -48.499486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.499486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.499486 (E_RNA) where: Base-Base interactions energy: -18.861 where: short stacking energy: -18.861 Base-Backbone interact. energy: -0.110 local terms energy: -29.529266 where: bonds (distance) C4'-P energy: -3.755 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -5.269 tors. eta vs tors. theta energy: -3.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -52.880027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.880027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.880027 (E_RNA) where: Base-Base interactions energy: -22.127 where: short stacking energy: -22.127 Base-Backbone interact. energy: -0.000 local terms energy: -30.752694 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.139 flat angles P-C4'-P energy: -3.666 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: 8, replica: 6 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -47.803601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.803601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.803601 (E_RNA) where: Base-Base interactions energy: -21.536 where: short stacking energy: -18.075 Base-Backbone interact. energy: -0.025 local terms energy: -26.243124 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -5.113 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -40.763901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.763901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.763901 (E_RNA) where: Base-Base interactions energy: -14.239 where: short stacking energy: -14.239 Base-Backbone interact. energy: -0.002 local terms energy: -26.523349 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -8.355 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -1.936 tors. eta vs tors. theta energy: -3.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -38.551124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.551124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.551124 (E_RNA) where: Base-Base interactions energy: -12.569 where: short stacking energy: -12.569 Base-Backbone interact. energy: -0.043 local terms energy: -25.939338 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -6.483 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -2.099 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: 7 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -80.104680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.104680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.104680 (E_RNA) where: Base-Base interactions energy: -50.061 where: short stacking energy: -24.836 Base-Backbone interact. energy: -0.115 local terms energy: -29.928028 where: bonds (distance) C4'-P energy: -6.093 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -5.311 tors. eta vs tors. theta energy: -3.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -84.480911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.480911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.480911 (E_RNA) where: Base-Base interactions energy: -45.905 where: short stacking energy: -25.591 Base-Backbone interact. energy: -0.013 local terms energy: -38.563639 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -8.748 flat angles P-C4'-P energy: -6.926 tors. eta vs tors. theta energy: -6.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -67.705756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.705756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.705756 (E_RNA) where: Base-Base interactions energy: -35.399 where: short stacking energy: -26.071 Base-Backbone interact. energy: -0.019 local terms energy: -32.287116 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.564 flat angles P-C4'-P energy: -4.855 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -53.482272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.482272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.482272 (E_RNA) where: Base-Base interactions energy: -22.869 where: short stacking energy: -22.869 Base-Backbone interact. energy: -0.002 local terms energy: -30.611571 where: bonds (distance) C4'-P energy: -8.299 bonds (distance) P-C4' energy: -3.824 flat angles C4'-P-C4' energy: -9.027 flat angles P-C4'-P energy: -4.767 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: 5, replica: 10 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -47.103121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.103121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.103121 (E_RNA) where: Base-Base interactions energy: -18.971 where: short stacking energy: -18.971 Base-Backbone interact. energy: -0.023 local terms energy: -28.109491 where: bonds (distance) C4'-P energy: -6.723 bonds (distance) P-C4' energy: -5.871 flat angles C4'-P-C4' energy: -7.556 flat angles P-C4'-P energy: -5.102 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: 6, replica: 8 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -51.672673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.672673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.672673 (E_RNA) where: Base-Base interactions energy: -22.968 where: short stacking energy: -22.968 Base-Backbone interact. energy: -0.004 local terms energy: -28.700251 where: bonds (distance) C4'-P energy: -5.866 bonds (distance) P-C4' energy: -4.316 flat angles C4'-P-C4' energy: -6.797 flat angles P-C4'-P energy: -5.190 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: 7, replica: 6 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -45.160547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.160547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.160547 (E_RNA) where: Base-Base interactions energy: -12.751 where: short stacking energy: -12.571 Base-Backbone interact. energy: -0.056 local terms energy: -32.353472 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.547 flat angles C4'-P-C4' energy: -7.676 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: -4.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -63.427947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.427947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.427947 (E_RNA) where: Base-Base interactions energy: -33.789 where: short stacking energy: -27.643 Base-Backbone interact. energy: -1.099 local terms energy: -28.540601 where: bonds (distance) C4'-P energy: -4.193 bonds (distance) P-C4' energy: -8.655 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -4.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -55.741629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.741629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.741629 (E_RNA) where: Base-Base interactions energy: -23.546 where: short stacking energy: -23.391 Base-Backbone interact. energy: -0.000 local terms energy: -32.195777 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -7.922 flat angles C4'-P-C4' energy: -5.307 flat angles P-C4'-P energy: -6.387 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: 10, replica: 5 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -43.060762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.060762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.060762 (E_RNA) where: Base-Base interactions energy: -13.445 where: short stacking energy: -13.444 Base-Backbone interact. energy: -0.025 local terms energy: -29.590944 where: bonds (distance) C4'-P energy: -5.758 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -3.728 tors. eta vs tors. theta energy: -5.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -82.703672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.703672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.703672 (E_RNA) where: Base-Base interactions energy: -47.678 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.002 local terms energy: -35.023476 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -5.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -86.909097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.909097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.909097 (E_RNA) where: Base-Base interactions energy: -51.417 where: short stacking energy: -33.476 Base-Backbone interact. energy: -0.596 local terms energy: -34.896901 where: bonds (distance) C4'-P energy: -6.397 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -8.509 flat angles P-C4'-P energy: -4.495 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: 3, replica: 3 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -64.741320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.741320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.741320 (E_RNA) where: Base-Base interactions energy: -36.662 where: short stacking energy: -30.488 Base-Backbone interact. energy: -0.709 local terms energy: -27.370380 where: bonds (distance) C4'-P energy: -7.836 bonds (distance) P-C4' energy: -4.142 flat angles C4'-P-C4' energy: -5.315 flat angles P-C4'-P energy: -3.814 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: 4, replica: 10 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -51.477475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.477475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.477475 (E_RNA) where: Base-Base interactions energy: -20.145 where: short stacking energy: -20.145 Base-Backbone interact. energy: -0.015 local terms energy: -31.316931 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.573 flat angles P-C4'-P energy: -3.664 tors. eta vs tors. theta energy: -5.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -53.157963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.157963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.157963 (E_RNA) where: Base-Base interactions energy: -21.065 where: short stacking energy: -21.065 Base-Backbone interact. energy: -0.000 local terms energy: -32.093335 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.005 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -5.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -51.545190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.545190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.545190 (E_RNA) where: Base-Base interactions energy: -23.807 where: short stacking energy: -22.002 Base-Backbone interact. energy: -0.040 local terms energy: -27.698928 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -6.779 flat angles C4'-P-C4' energy: -5.091 flat angles P-C4'-P energy: -3.526 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: 7, replica: 8 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -51.403127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.403127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.403127 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -16.571 Base-Backbone interact. energy: 0.243 local terms energy: -34.493435 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -4.813 tors. eta vs tors. theta energy: -5.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -47.224310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.224310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.224310 (E_RNA) where: Base-Base interactions energy: -15.800 where: short stacking energy: -15.800 Base-Backbone interact. energy: -0.014 local terms energy: -31.411155 where: bonds (distance) C4'-P energy: -6.519 bonds (distance) P-C4' energy: -7.809 flat angles C4'-P-C4' energy: -8.746 flat angles P-C4'-P energy: -4.750 tors. eta vs tors. theta energy: -3.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -44.093741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.093741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.093741 (E_RNA) where: Base-Base interactions energy: -17.138 where: short stacking energy: -11.661 Base-Backbone interact. energy: -0.014 local terms energy: -26.941079 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -4.735 flat angles P-C4'-P energy: -3.632 tors. eta vs tors. theta energy: -1.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -48.039083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.039083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.039083 (E_RNA) where: Base-Base interactions energy: -18.727 where: short stacking energy: -18.435 Base-Backbone interact. energy: -0.475 local terms energy: -28.837411 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -5.594 flat angles C4'-P-C4' energy: -6.985 flat angles P-C4'-P energy: -3.686 tors. eta vs tors. theta energy: -5.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -84.927102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.927102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.927102 (E_RNA) where: Base-Base interactions energy: -48.131 where: short stacking energy: -21.532 Base-Backbone interact. energy: -0.074 local terms energy: -36.722277 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -7.039 tors. eta vs tors. theta energy: -5.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -79.076306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.076306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.076306 (E_RNA) where: Base-Base interactions energy: -42.659 where: short stacking energy: -28.483 Base-Backbone interact. energy: -0.005 local terms energy: -36.412752 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -9.198 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -6.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -72.241114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.241114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.241114 (E_RNA) where: Base-Base interactions energy: -39.202 where: short stacking energy: -28.642 Base-Backbone interact. energy: -0.001 local terms energy: -33.038132 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -4.823 tors. eta vs tors. theta energy: -4.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -57.722212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.722212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.722212 (E_RNA) where: Base-Base interactions energy: -21.504 where: short stacking energy: -21.504 Base-Backbone interact. energy: -0.046 local terms energy: -36.172549 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -6.741 flat angles P-C4'-P energy: -5.156 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -53.058603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.058603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.058603 (E_RNA) where: Base-Base interactions energy: -22.842 where: short stacking energy: -19.149 Base-Backbone interact. energy: -0.007 local terms energy: -30.209355 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.085 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -3.751 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: 6, replica: 1 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -58.249473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.249473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.249473 (E_RNA) where: Base-Base interactions energy: -27.355 where: short stacking energy: -12.465 Base-Backbone interact. energy: -0.098 local terms energy: -30.796789 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.730 flat angles P-C4'-P energy: -5.364 tors. eta vs tors. theta energy: -0.910 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: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -50.590964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.590964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.590964 (E_RNA) where: Base-Base interactions energy: -16.751 where: short stacking energy: -16.751 Base-Backbone interact. energy: -0.008 local terms energy: -33.831258 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.337 flat angles P-C4'-P energy: -6.855 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: 8, replica: 8 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -45.258286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.258286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.258286 (E_RNA) where: Base-Base interactions energy: -14.914 where: short stacking energy: -14.914 Base-Backbone interact. energy: -0.001 local terms energy: -30.342417 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -4.419 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -3.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -51.209508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.209508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.209508 (E_RNA) where: Base-Base interactions energy: -22.745 where: short stacking energy: -22.745 Base-Backbone interact. energy: 1.031 local terms energy: -29.495562 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.942 flat angles P-C4'-P energy: -5.766 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: 10, replica: 9 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -42.439816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.439816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.439816 (E_RNA) where: Base-Base interactions energy: -13.512 where: short stacking energy: -10.677 Base-Backbone interact. energy: -0.287 local terms energy: -28.640239 where: bonds (distance) C4'-P energy: -5.799 bonds (distance) P-C4' energy: -8.122 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -5.879 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: 1, replica: 2 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -82.016392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.016392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.016392 (E_RNA) where: Base-Base interactions energy: -46.063 where: short stacking energy: -24.050 Base-Backbone interact. energy: -0.004 local terms energy: -35.949844 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -6.776 flat angles P-C4'-P energy: -5.933 tors. eta vs tors. theta energy: -6.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -68.546583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.546583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.546583 (E_RNA) where: Base-Base interactions energy: -36.438 where: short stacking energy: -19.327 Base-Backbone interact. energy: -0.023 local terms energy: -32.086087 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.047 flat angles C4'-P-C4' energy: -7.225 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -4.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -58.170783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.170783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.170783 (E_RNA) where: Base-Base interactions energy: -29.956 where: short stacking energy: -16.481 Base-Backbone interact. energy: 0.421 local terms energy: -28.635399 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -5.671 flat angles P-C4'-P energy: -6.598 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: 4, replica: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -71.369462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.369462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.369462 (E_RNA) where: Base-Base interactions energy: -36.140 where: short stacking energy: -20.401 Base-Backbone interact. energy: -0.003 local terms energy: -35.226538 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -4.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -48.859259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.859259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.859259 (E_RNA) where: Base-Base interactions energy: -20.612 where: short stacking energy: -20.612 Base-Backbone interact. energy: -0.004 local terms energy: -28.242630 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -6.058 flat angles C4'-P-C4' energy: -7.893 flat angles P-C4'-P energy: -3.332 tors. eta vs tors. theta energy: -5.451 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: 6, replica: 4 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -48.052342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.052342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.052342 (E_RNA) where: Base-Base interactions energy: -20.675 where: short stacking energy: -20.675 Base-Backbone interact. energy: -0.100 local terms energy: -27.276764 where: bonds (distance) C4'-P energy: -7.506 bonds (distance) P-C4' energy: -5.737 flat angles C4'-P-C4' energy: -5.756 flat angles P-C4'-P energy: -3.243 tors. eta vs tors. theta energy: -5.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -49.183782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.183782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.183782 (E_RNA) where: Base-Base interactions energy: -20.335 where: short stacking energy: -5.730 Base-Backbone interact. energy: -0.498 local terms energy: -28.350282 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -5.794 tors. eta vs tors. theta energy: 2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -40.712025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.712025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.712025 (E_RNA) where: Base-Base interactions energy: -14.617 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.013 local terms energy: -26.081780 where: bonds (distance) C4'-P energy: -5.795 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -3.815 flat angles P-C4'-P energy: -4.343 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: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -49.859501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.859501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.859501 (E_RNA) where: Base-Base interactions energy: -19.913 where: short stacking energy: -19.913 Base-Backbone interact. energy: -0.209 local terms energy: -29.736710 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -0.112 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: 10, replica: 9 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -38.385440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.385440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.385440 (E_RNA) where: Base-Base interactions energy: -10.684 where: short stacking energy: -10.684 Base-Backbone interact. energy: -0.115 local terms energy: -27.586981 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -3.956 flat angles P-C4'-P energy: -6.495 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: 1, replica: 3 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -79.735078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.735078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.735078 (E_RNA) where: Base-Base interactions energy: -39.235 where: short stacking energy: -22.125 Base-Backbone interact. energy: -0.006 local terms energy: -40.494028 where: bonds (distance) C4'-P energy: -8.760 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.790 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -8.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -74.272019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.272019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.272019 (E_RNA) where: Base-Base interactions energy: -38.325 where: short stacking energy: -23.907 Base-Backbone interact. energy: -0.000 local terms energy: -35.946677 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -4.074 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: 3, replica: 7 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -61.323738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.323738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.323738 (E_RNA) where: Base-Base interactions energy: -31.314 where: short stacking energy: -25.083 Base-Backbone interact. energy: -0.512 local terms energy: -29.498174 where: bonds (distance) C4'-P energy: -3.903 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.306 flat angles P-C4'-P energy: -4.542 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: 4, replica: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -61.798059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.798059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.798059 (E_RNA) where: Base-Base interactions energy: -30.345 where: short stacking energy: -22.123 Base-Backbone interact. energy: -0.004 local terms energy: -31.448560 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -6.177 flat angles C4'-P-C4' energy: -8.253 flat angles P-C4'-P energy: -5.461 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: 4 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -51.129606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.129606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.129606 (E_RNA) where: Base-Base interactions energy: -23.113 where: short stacking energy: -23.113 Base-Backbone interact. energy: 0.292 local terms energy: -28.308529 where: bonds (distance) C4'-P energy: -5.903 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -8.128 flat angles P-C4'-P energy: -4.139 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: 6, replica: 10 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -46.434763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.434763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.434763 (E_RNA) where: Base-Base interactions energy: -22.422 where: short stacking energy: -17.122 Base-Backbone interact. energy: -0.032 local terms energy: -23.980560 where: bonds (distance) C4'-P energy: -4.536 bonds (distance) P-C4' energy: -7.481 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -2.847 tors. eta vs tors. theta energy: -2.768 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: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -52.114847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.114847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.114847 (E_RNA) where: Base-Base interactions energy: -18.306 where: short stacking energy: -17.428 Base-Backbone interact. energy: -0.210 local terms energy: -33.597924 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -6.051 flat angles C4'-P-C4' energy: -9.107 flat angles P-C4'-P energy: -2.470 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: 8, replica: 5 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -53.168057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.168057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.168057 (E_RNA) where: Base-Base interactions energy: -24.312 where: short stacking energy: -11.861 Base-Backbone interact. energy: -0.179 local terms energy: -28.677459 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.661 flat angles P-C4'-P energy: -5.715 tors. eta vs tors. theta energy: 2.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -43.037268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.037268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.037268 (E_RNA) where: Base-Base interactions energy: -15.874 where: short stacking energy: -15.874 Base-Backbone interact. energy: -0.474 local terms energy: -26.688926 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -5.732 flat angles C4'-P-C4' energy: -5.054 flat angles P-C4'-P energy: -6.075 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: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -41.727166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.727166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.727166 (E_RNA) where: Base-Base interactions energy: -18.109 where: short stacking energy: -17.634 Base-Backbone interact. energy: -0.004 local terms energy: -23.614450 where: bonds (distance) C4'-P energy: -6.019 bonds (distance) P-C4' energy: -5.331 flat angles C4'-P-C4' energy: -6.138 flat angles P-C4'-P energy: -3.950 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: 1, replica: 3 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -71.232595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.232595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.232595 (E_RNA) where: Base-Base interactions energy: -37.226 where: short stacking energy: -24.123 Base-Backbone interact. energy: -0.016 local terms energy: -33.990655 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.390 flat angles P-C4'-P energy: -5.449 tors. eta vs tors. theta energy: -6.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -56.389922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.389922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.389922 (E_RNA) where: Base-Base interactions energy: -25.679 where: short stacking energy: -16.527 Base-Backbone interact. energy: -0.031 local terms energy: -30.679596 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -7.314 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: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -65.099221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.099221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.099221 (E_RNA) where: Base-Base interactions energy: -31.472 where: short stacking energy: -27.017 Base-Backbone interact. energy: -0.150 local terms energy: -33.477059 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.178 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.808 tors. eta vs tors. theta energy: -6.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -59.387733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.387733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.387733 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.000 local terms energy: -38.943901 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -9.038 flat angles C4'-P-C4' energy: -8.830 flat angles P-C4'-P energy: -5.531 tors. eta vs tors. theta energy: -8.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -56.283569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.283569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.283569 (E_RNA) where: Base-Base interactions energy: -25.374 where: short stacking energy: -25.374 Base-Backbone interact. energy: -0.016 local terms energy: -30.892948 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -6.610 flat angles C4'-P-C4' energy: -6.268 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -6.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -49.492871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.492871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.492871 (E_RNA) where: Base-Base interactions energy: -19.590 where: short stacking energy: -14.942 Base-Backbone interact. energy: -0.099 local terms energy: -29.803481 where: bonds (distance) C4'-P energy: -7.315 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -52.717316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.717316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.717316 (E_RNA) where: Base-Base interactions energy: -19.247 where: short stacking energy: -19.247 Base-Backbone interact. energy: -0.122 local terms energy: -33.348556 where: bonds (distance) C4'-P energy: -6.540 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.529 tors. eta vs tors. theta energy: -6.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -41.646151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.646151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.646151 (E_RNA) where: Base-Base interactions energy: -15.063 where: short stacking energy: -15.063 Base-Backbone interact. energy: -0.006 local terms energy: -26.577606 where: bonds (distance) C4'-P energy: -3.108 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.297 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -3.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -42.051982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.051982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.051982 (E_RNA) where: Base-Base interactions energy: -10.285 where: short stacking energy: -10.285 Base-Backbone interact. energy: -0.009 local terms energy: -31.757405 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -6.974 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -3.779 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -43.961237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.961237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.961237 (E_RNA) where: Base-Base interactions energy: -13.766 where: short stacking energy: -12.217 Base-Backbone interact. energy: -0.000 local terms energy: -30.194911 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.444 flat angles P-C4'-P energy: -5.089 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: 1, replica: 3 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -76.888774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.888774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.888774 (E_RNA) where: Base-Base interactions energy: -44.205 where: short stacking energy: -26.211 Base-Backbone interact. energy: -0.822 local terms energy: -31.861253 where: bonds (distance) C4'-P energy: -2.641 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.792 flat angles P-C4'-P energy: -4.488 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: 7 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -69.881526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.881526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.881526 (E_RNA) where: Base-Base interactions energy: -38.169 where: short stacking energy: -19.531 Base-Backbone interact. energy: 0.129 local terms energy: -31.841383 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.056 flat angles P-C4'-P energy: -5.368 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: 3, replica: 4 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -60.084754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.084754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.084754 (E_RNA) where: Base-Base interactions energy: -29.686 where: short stacking energy: -16.499 Base-Backbone interact. energy: -0.052 local terms energy: -30.346756 where: bonds (distance) C4'-P energy: -8.048 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -3.719 tors. eta vs tors. theta energy: -2.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -60.692443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.692443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.692443 (E_RNA) where: Base-Base interactions energy: -23.980 where: short stacking energy: -22.319 Base-Backbone interact. energy: -0.000 local terms energy: -36.711849 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -8.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -53.915253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.915253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.915253 (E_RNA) where: Base-Base interactions energy: -18.056 where: short stacking energy: -18.056 Base-Backbone interact. energy: -0.005 local terms energy: -35.854709 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -6.063 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: 6, replica: 6 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -46.123146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.123146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.123146 (E_RNA) where: Base-Base interactions energy: -17.511 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.073 local terms energy: -28.538586 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -7.172 flat angles P-C4'-P energy: -4.386 tors. eta vs tors. theta energy: -1.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -49.558157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.558157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.558157 (E_RNA) where: Base-Base interactions energy: -19.992 where: short stacking energy: -19.992 Base-Backbone interact. energy: -0.000 local terms energy: -29.566489 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -6.265 flat angles P-C4'-P energy: -3.731 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: 8, replica: 10 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -46.448437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.448437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.448437 (E_RNA) where: Base-Base interactions energy: -14.951 where: short stacking energy: -14.951 Base-Backbone interact. energy: -0.099 local terms energy: -31.397893 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.341 flat angles P-C4'-P energy: -3.299 tors. eta vs tors. theta energy: -3.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -44.189335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.189335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.189335 (E_RNA) where: Base-Base interactions energy: -15.733 where: short stacking energy: -15.733 Base-Backbone interact. energy: -0.012 local terms energy: -28.444730 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -4.949 flat angles P-C4'-P energy: -2.428 tors. eta vs tors. theta energy: -4.000 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: 5 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -39.759977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.759977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.759977 (E_RNA) where: Base-Base interactions energy: -12.697 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.001 local terms energy: -27.061756 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -4.601 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: 3 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -65.699694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.699694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.699694 (E_RNA) where: Base-Base interactions energy: -29.201 where: short stacking energy: -25.504 Base-Backbone interact. energy: -0.000 local terms energy: -36.499044 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -6.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -70.979957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.979957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.979957 (E_RNA) where: Base-Base interactions energy: -43.469 where: short stacking energy: -24.178 Base-Backbone interact. energy: -0.149 local terms energy: -27.362418 where: bonds (distance) C4'-P energy: -7.136 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.105 flat angles P-C4'-P energy: -1.457 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: 3, replica: 4 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -61.636340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.636340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.636340 (E_RNA) where: Base-Base interactions energy: -25.886 where: short stacking energy: -21.048 Base-Backbone interact. energy: -2.262 local terms energy: -33.487706 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.612 flat angles C4'-P-C4' energy: -6.939 flat angles P-C4'-P energy: -5.807 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: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -71.035088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.035088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.035088 (E_RNA) where: Base-Base interactions energy: -40.988 where: short stacking energy: -15.969 Base-Backbone interact. energy: -0.096 local terms energy: -29.950988 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -6.511 tors. eta vs tors. theta energy: 0.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -47.132276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.132276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.132276 (E_RNA) where: Base-Base interactions energy: -14.416 where: short stacking energy: -10.332 Base-Backbone interact. energy: -0.114 local terms energy: -32.602919 where: bonds (distance) C4'-P energy: -7.319 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.925 flat angles P-C4'-P energy: -5.638 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: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -47.080356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.080356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.080356 (E_RNA) where: Base-Base interactions energy: -14.479 where: short stacking energy: -14.420 Base-Backbone interact. energy: -0.000 local terms energy: -32.601500 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -6.476 flat angles P-C4'-P energy: -7.072 tors. eta vs tors. theta energy: -2.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -45.596408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.596408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.596408 (E_RNA) where: Base-Base interactions energy: -17.316 where: short stacking energy: -17.316 Base-Backbone interact. energy: 0.824 local terms energy: -29.105026 where: bonds (distance) C4'-P energy: -6.537 bonds (distance) P-C4' energy: -8.351 flat angles C4'-P-C4' energy: -5.641 flat angles P-C4'-P energy: -4.940 tors. eta vs tors. theta energy: -3.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -49.106645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.106645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.106645 (E_RNA) where: Base-Base interactions energy: -18.859 where: short stacking energy: -18.717 Base-Backbone interact. energy: -0.001 local terms energy: -30.246963 where: bonds (distance) C4'-P energy: -5.890 bonds (distance) P-C4' energy: -5.803 flat angles C4'-P-C4' energy: -4.040 flat angles P-C4'-P energy: -7.323 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: 9, replica: 10 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -42.141728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.141728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.141728 (E_RNA) where: Base-Base interactions energy: -16.519 where: short stacking energy: -16.519 Base-Backbone interact. energy: -0.001 local terms energy: -25.621850 where: bonds (distance) C4'-P energy: -5.651 bonds (distance) P-C4' energy: -6.164 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -2.693 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: 10, replica: 5 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -40.543852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.543852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.543852 (E_RNA) where: Base-Base interactions energy: -14.202 where: short stacking energy: -14.202 Base-Backbone interact. energy: -0.027 local terms energy: -26.315215 where: bonds (distance) C4'-P energy: -4.987 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.604 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -63.363668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.363668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.363668 (E_RNA) where: Base-Base interactions energy: -31.381 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.111 local terms energy: -31.871342 where: bonds (distance) C4'-P energy: -8.184 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -8.076 flat angles P-C4'-P energy: -1.656 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: 3 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -62.001110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.001110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.001110 (E_RNA) where: Base-Base interactions energy: -24.788 where: short stacking energy: -24.788 Base-Backbone interact. energy: -0.000 local terms energy: -37.212685 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.338 flat angles P-C4'-P energy: -6.563 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: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -62.845370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.845370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.845370 (E_RNA) where: Base-Base interactions energy: -31.207 where: short stacking energy: -18.597 Base-Backbone interact. energy: -0.005 local terms energy: -31.633375 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.481 flat angles P-C4'-P energy: -4.482 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: 4, replica: 4 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -60.404457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.404457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.404457 (E_RNA) where: Base-Base interactions energy: -29.191 where: short stacking energy: -20.075 Base-Backbone interact. energy: -0.001 local terms energy: -31.212565 where: bonds (distance) C4'-P energy: -4.740 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -7.796 flat angles P-C4'-P energy: -4.994 tors. eta vs tors. theta energy: -5.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -54.574559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.574559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.574559 (E_RNA) where: Base-Base interactions energy: -24.007 where: short stacking energy: -24.007 Base-Backbone interact. energy: -0.000 local terms energy: -30.567082 where: bonds (distance) C4'-P energy: -5.395 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -7.187 flat angles P-C4'-P energy: -5.653 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: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -52.696679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.696679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.696679 (E_RNA) where: Base-Base interactions energy: -24.634 where: short stacking energy: -14.820 Base-Backbone interact. energy: -0.203 local terms energy: -27.860462 where: bonds (distance) C4'-P energy: -5.828 bonds (distance) P-C4' energy: -8.004 flat angles C4'-P-C4' energy: -7.779 flat angles P-C4'-P energy: -2.182 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: 7, replica: 8 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -48.494935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.494935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.494935 (E_RNA) where: Base-Base interactions energy: -17.853 where: short stacking energy: -17.853 Base-Backbone interact. energy: -0.008 local terms energy: -30.634006 where: bonds (distance) C4'-P energy: -4.648 bonds (distance) P-C4' energy: -7.865 flat angles C4'-P-C4' energy: -7.688 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -4.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -50.996102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.996102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.996102 (E_RNA) where: Base-Base interactions energy: -19.421 where: short stacking energy: -19.421 Base-Backbone interact. energy: -0.088 local terms energy: -31.487573 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -7.647 flat angles P-C4'-P energy: -4.891 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: 5 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -43.292718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.292718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.292718 (E_RNA) where: Base-Base interactions energy: -16.208 where: short stacking energy: -16.208 Base-Backbone interact. energy: -0.012 local terms energy: -27.072304 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -5.475 flat angles C4'-P-C4' energy: -7.403 flat angles P-C4'-P energy: -6.297 tors. eta vs tors. theta energy: 0.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -47.957993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.957993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.957993 (E_RNA) where: Base-Base interactions energy: -15.473 where: short stacking energy: -15.473 Base-Backbone interact. energy: -0.095 local terms energy: -32.389246 where: bonds (distance) C4'-P energy: -6.880 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -3.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -63.290561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.290561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.290561 (E_RNA) where: Base-Base interactions energy: -27.635 where: short stacking energy: -27.635 Base-Backbone interact. energy: -0.000 local terms energy: -35.655282 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.301 flat angles P-C4'-P energy: -2.353 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -55.756335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.756335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.756335 (E_RNA) where: Base-Base interactions energy: -25.378 where: short stacking energy: -25.041 Base-Backbone interact. energy: -0.147 local terms energy: -30.231118 where: bonds (distance) C4'-P energy: -6.558 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -8.960 flat angles P-C4'-P energy: -5.072 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -66.625306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.625306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.625306 (E_RNA) where: Base-Base interactions energy: -34.553 where: short stacking energy: -21.558 Base-Backbone interact. energy: -0.007 local terms energy: -32.065312 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -2.822 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: 4, replica: 9 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -59.596844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.596844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.596844 (E_RNA) where: Base-Base interactions energy: -25.687 where: short stacking energy: -20.101 Base-Backbone interact. energy: -0.000 local terms energy: -33.909955 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -7.766 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -5.229 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -56.827115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.827115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.827115 (E_RNA) where: Base-Base interactions energy: -27.627 where: short stacking energy: -18.214 Base-Backbone interact. energy: 0.015 local terms energy: -29.215392 where: bonds (distance) C4'-P energy: -7.332 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -5.854 flat angles P-C4'-P energy: -5.757 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: 8 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -50.157360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.157360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.157360 (E_RNA) where: Base-Base interactions energy: -18.223 where: short stacking energy: -18.223 Base-Backbone interact. energy: -0.001 local terms energy: -31.933142 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.440 flat angles C4'-P-C4' energy: -5.384 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -47.477000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.477000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.477000 (E_RNA) where: Base-Base interactions energy: -13.312 where: short stacking energy: -13.312 Base-Backbone interact. energy: -0.023 local terms energy: -34.141929 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -8.383 flat angles P-C4'-P energy: -5.162 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -39.386079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.386079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.386079 (E_RNA) where: Base-Base interactions energy: -12.140 where: short stacking energy: -12.140 Base-Backbone interact. energy: -0.006 local terms energy: -27.240310 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.624 flat angles P-C4'-P energy: -2.397 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: 9, replica: 6 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -43.870909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.870909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.870909 (E_RNA) where: Base-Base interactions energy: -17.654 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.005 local terms energy: -26.212252 where: bonds (distance) C4'-P energy: -6.043 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -6.921 flat angles P-C4'-P energy: -2.140 tors. eta vs tors. theta energy: -2.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -41.044094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.044094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.044094 (E_RNA) where: Base-Base interactions energy: -12.819 where: short stacking energy: -12.919 Base-Backbone interact. energy: -0.023 local terms energy: -28.202313 where: bonds (distance) C4'-P energy: -8.304 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -6.355 flat angles P-C4'-P energy: -5.166 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: 7 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -67.355057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.355057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.355057 (E_RNA) where: Base-Base interactions energy: -31.776 where: short stacking energy: -31.776 Base-Backbone interact. energy: -0.000 local terms energy: -35.578912 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.121 flat angles P-C4'-P energy: -3.241 tors. eta vs tors. theta energy: -9.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -57.590560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.590560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.590560 (E_RNA) where: Base-Base interactions energy: -24.990 where: short stacking energy: -24.990 Base-Backbone interact. energy: -0.009 local terms energy: -32.591566 where: bonds (distance) C4'-P energy: -4.040 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -7.551 flat angles P-C4'-P energy: -4.882 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: 386 Temperature: 1.000000 Total energy: -58.284881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.284881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.284881 (E_RNA) where: Base-Base interactions energy: -28.787 where: short stacking energy: -19.723 Base-Backbone interact. energy: -0.040 local terms energy: -29.458479 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -4.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -59.531376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.531376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.531376 (E_RNA) where: Base-Base interactions energy: -28.339 where: short stacking energy: -27.973 Base-Backbone interact. energy: 1.322 local terms energy: -32.515030 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -7.743 flat angles P-C4'-P energy: -2.565 tors. eta vs tors. theta energy: -6.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -46.646879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.646879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.646879 (E_RNA) where: Base-Base interactions energy: -16.711 where: short stacking energy: -16.711 Base-Backbone interact. energy: -0.027 local terms energy: -29.909795 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -8.476 flat angles P-C4'-P energy: -3.838 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: 4 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -47.253280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.253280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.253280 (E_RNA) where: Base-Base interactions energy: -20.792 where: short stacking energy: -15.187 Base-Backbone interact. energy: -0.063 local terms energy: -26.398591 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.561 flat angles C4'-P-C4' energy: -4.948 flat angles P-C4'-P energy: -5.497 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: 7, replica: 5 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -51.123853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.123853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.123853 (E_RNA) where: Base-Base interactions energy: -18.585 where: short stacking energy: -17.660 Base-Backbone interact. energy: -0.186 local terms energy: -32.352787 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -8.600 flat angles P-C4'-P energy: -5.498 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: 8, replica: 1 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -42.079171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.079171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.079171 (E_RNA) where: Base-Base interactions energy: -22.229 where: short stacking energy: -6.830 Base-Backbone interact. energy: -0.717 local terms energy: -19.133345 where: bonds (distance) C4'-P energy: -4.019 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -5.085 flat angles P-C4'-P energy: -3.357 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: 9, replica: 10 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -46.812817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.812817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.812817 (E_RNA) where: Base-Base interactions energy: -20.721 where: short stacking energy: -13.455 Base-Backbone interact. energy: -0.023 local terms energy: -26.068716 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -4.994 flat angles P-C4'-P energy: -3.648 tors. eta vs tors. theta energy: -1.373 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: 6 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -33.976869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -33.976869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -33.976869 (E_RNA) where: Base-Base interactions energy: -11.694 where: short stacking energy: -6.709 Base-Backbone interact. energy: -0.053 local terms energy: -22.229682 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -2.016 flat angles P-C4'-P energy: -3.220 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: 7 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -69.936148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.936148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.936148 (E_RNA) where: Base-Base interactions energy: -31.922 where: short stacking energy: -31.527 Base-Backbone interact. energy: -0.001 local terms energy: -38.013173 where: bonds (distance) C4'-P energy: -6.860 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -5.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -55.310124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.310124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.310124 (E_RNA) where: Base-Base interactions energy: -21.663 where: short stacking energy: -21.663 Base-Backbone interact. energy: -0.000 local terms energy: -33.646638 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.318 flat angles P-C4'-P energy: -6.131 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: 3, replica: 9 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -52.630236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.630236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.630236 (E_RNA) where: Base-Base interactions energy: -19.650 where: short stacking energy: -19.650 Base-Backbone interact. energy: -0.002 local terms energy: -32.978662 where: bonds (distance) C4'-P energy: -8.015 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -7.565 flat angles P-C4'-P energy: -3.979 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: 4, replica: 8 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -58.886713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.886713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.886713 (E_RNA) where: Base-Base interactions energy: -27.918 where: short stacking energy: -20.664 Base-Backbone interact. energy: -0.000 local terms energy: -30.968448 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.188 flat angles P-C4'-P energy: -4.629 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: 5, replica: 3 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -57.726964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.726964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.726964 (E_RNA) where: Base-Base interactions energy: -29.854 where: short stacking energy: -21.036 Base-Backbone interact. energy: -0.010 local terms energy: -27.863266 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -8.199 flat angles C4'-P-C4' energy: -8.186 flat angles P-C4'-P energy: -2.148 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -42.706343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.706343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.706343 (E_RNA) where: Base-Base interactions energy: -11.708 where: short stacking energy: -10.343 Base-Backbone interact. energy: -0.200 local terms energy: -30.798987 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -6.711 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -47.215347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.215347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.215347 (E_RNA) where: Base-Base interactions energy: -20.226 where: short stacking energy: -20.226 Base-Backbone interact. energy: -0.001 local terms energy: -26.988275 where: bonds (distance) C4'-P energy: -2.194 bonds (distance) P-C4' energy: -7.429 flat angles C4'-P-C4' energy: -7.389 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -3.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -43.058814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.058814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.058814 (E_RNA) where: Base-Base interactions energy: -13.654 where: short stacking energy: -13.654 Base-Backbone interact. energy: -0.463 local terms energy: -28.941405 where: bonds (distance) C4'-P energy: -6.113 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -5.773 flat angles P-C4'-P energy: -4.748 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: 9, replica: 1 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -45.671425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.671425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.671425 (E_RNA) where: Base-Base interactions energy: -22.694 where: short stacking energy: -14.211 Base-Backbone interact. energy: -0.055 local terms energy: -22.922256 where: bonds (distance) C4'-P energy: -4.168 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.710 flat angles P-C4'-P energy: -2.089 tors. eta vs tors. theta energy: 0.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -42.946109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.946109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.946109 (E_RNA) where: Base-Base interactions energy: -18.385 where: short stacking energy: -16.032 Base-Backbone interact. energy: -0.002 local terms energy: -24.558937 where: bonds (distance) C4'-P energy: -5.171 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -4.147 flat angles P-C4'-P energy: -2.833 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: 1, replica: 2 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -73.008939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.008939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.008939 (E_RNA) where: Base-Base interactions energy: -41.773 where: short stacking energy: -19.814 Base-Backbone interact. energy: -0.066 local terms energy: -31.169349 where: bonds (distance) C4'-P energy: -6.271 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.465 flat angles P-C4'-P energy: -5.007 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: 2, replica: 7 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -70.391449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.391449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.391449 (E_RNA) where: Base-Base interactions energy: -36.802 where: short stacking energy: -22.253 Base-Backbone interact. energy: -0.016 local terms energy: -33.574093 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.845 flat angles P-C4'-P energy: -5.121 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -63.391067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.391067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.391067 (E_RNA) where: Base-Base interactions energy: -27.293 where: short stacking energy: -23.947 Base-Backbone interact. energy: -0.014 local terms energy: -36.083481 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.811 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -5.741 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: 4, replica: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -55.319854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.319854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.319854 (E_RNA) where: Base-Base interactions energy: -21.077 where: short stacking energy: -21.077 Base-Backbone interact. energy: -0.012 local terms energy: -34.230671 where: bonds (distance) C4'-P energy: -8.573 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -8.527 flat angles P-C4'-P energy: -3.006 tors. eta vs tors. theta energy: -7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -55.569516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.569516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.569516 (E_RNA) where: Base-Base interactions energy: -29.324 where: short stacking energy: -21.547 Base-Backbone interact. energy: -0.216 local terms energy: -26.029678 where: bonds (distance) C4'-P energy: -7.526 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -2.434 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -51.917050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.917050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.917050 (E_RNA) where: Base-Base interactions energy: -19.868 where: short stacking energy: -18.391 Base-Backbone interact. energy: -0.016 local terms energy: -32.032698 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -7.898 flat angles P-C4'-P energy: -5.895 tors. eta vs tors. theta energy: -3.829 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: 7, replica: 10 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -45.158196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.158196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.158196 (E_RNA) where: Base-Base interactions energy: -18.543 where: short stacking energy: -18.543 Base-Backbone interact. energy: -0.040 local terms energy: -26.575586 where: bonds (distance) C4'-P energy: -7.108 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -6.402 flat angles P-C4'-P energy: 0.767 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: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -55.514535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.514535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.514535 (E_RNA) where: Base-Base interactions energy: -25.164 where: short stacking energy: -19.181 Base-Backbone interact. energy: -1.493 local terms energy: -28.857596 where: bonds (distance) C4'-P energy: -5.534 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -4.391 flat angles P-C4'-P energy: -5.116 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: 9, replica: 6 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -42.898948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.898948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.898948 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.749 Base-Backbone interact. energy: 0.237 local terms energy: -27.162857 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -5.793 flat angles P-C4'-P energy: -5.406 tors. eta vs tors. theta energy: -0.288 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: 10, replica: 1 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -46.468781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.468781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.468781 (E_RNA) where: Base-Base interactions energy: -19.452 where: short stacking energy: -15.384 Base-Backbone interact. energy: 2.750 local terms energy: -29.766987 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -5.970 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -4.735 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: 1, replica: 2 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -80.357587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.357587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.357587 (E_RNA) where: Base-Base interactions energy: -45.131 where: short stacking energy: -23.060 Base-Backbone interact. energy: -0.168 local terms energy: -35.058270 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -8.288 flat angles P-C4'-P energy: -5.892 tors. eta vs tors. theta energy: -4.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -64.294723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.294723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.294723 (E_RNA) where: Base-Base interactions energy: -28.464 where: short stacking energy: -28.464 Base-Backbone interact. energy: -0.000 local terms energy: -35.830909 where: bonds (distance) C4'-P energy: -6.893 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.137 flat angles P-C4'-P energy: -4.385 tors. eta vs tors. theta energy: -8.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -59.073685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.073685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.073685 (E_RNA) where: Base-Base interactions energy: -27.629 where: short stacking energy: -27.629 Base-Backbone interact. energy: -0.084 local terms energy: -31.360403 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -5.147 flat angles P-C4'-P energy: -5.096 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: 4, replica: 4 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -53.557949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.557949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.557949 (E_RNA) where: Base-Base interactions energy: -23.359 where: short stacking energy: -18.795 Base-Backbone interact. energy: -0.036 local terms energy: -30.163321 where: bonds (distance) C4'-P energy: -6.262 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -6.422 flat angles P-C4'-P energy: -3.528 tors. eta vs tors. theta energy: -5.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -52.261161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.261161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.261161 (E_RNA) where: Base-Base interactions energy: -18.929 where: short stacking energy: -16.966 Base-Backbone interact. energy: -0.017 local terms energy: -33.314722 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.093 flat angles P-C4'-P energy: -6.535 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: 6, replica: 10 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -55.917200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.917200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.917200 (E_RNA) where: Base-Base interactions energy: -23.722 where: short stacking energy: -19.818 Base-Backbone interact. energy: -0.003 local terms energy: -32.191975 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -4.253 tors. eta vs tors. theta energy: -4.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -42.240217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.240217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.240217 (E_RNA) where: Base-Base interactions energy: -13.183 where: short stacking energy: -12.835 Base-Backbone interact. energy: -0.203 local terms energy: -28.854277 where: bonds (distance) C4'-P energy: -5.762 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.088 flat angles P-C4'-P energy: -6.990 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: 8, replica: 6 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -47.074258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.074258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.074258 (E_RNA) where: Base-Base interactions energy: -18.963 where: short stacking energy: -18.555 Base-Backbone interact. energy: -0.078 local terms energy: -28.032525 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -7.196 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -6.106 tors. eta vs tors. theta energy: -4.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -43.859979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.859979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.859979 (E_RNA) where: Base-Base interactions energy: -16.331 where: short stacking energy: -16.331 Base-Backbone interact. energy: -0.105 local terms energy: -27.423660 where: bonds (distance) C4'-P energy: -5.635 bonds (distance) P-C4' energy: -6.554 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -7.439 tors. eta vs tors. theta energy: -2.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -48.371564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.371564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.371564 (E_RNA) where: Base-Base interactions energy: -23.498 where: short stacking energy: -18.764 Base-Backbone interact. energy: -0.253 local terms energy: -24.621373 where: bonds (distance) C4'-P energy: -4.880 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.649 flat angles P-C4'-P energy: -2.291 tors. eta vs tors. theta energy: -2.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -67.512893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.512893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.512893 (E_RNA) where: Base-Base interactions energy: -36.072 where: short stacking energy: -18.260 Base-Backbone interact. energy: -0.011 local terms energy: -31.429713 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -4.616 tors. eta vs tors. theta energy: -3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -68.099410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.099410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.099410 (E_RNA) where: Base-Base interactions energy: -29.775 where: short stacking energy: -29.775 Base-Backbone interact. energy: -0.000 local terms energy: -38.323926 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -7.155 flat angles P-C4'-P energy: -5.718 tors. eta vs tors. theta energy: -9.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -63.372480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.372480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.372480 (E_RNA) where: Base-Base interactions energy: -28.579 where: short stacking energy: -28.579 Base-Backbone interact. energy: -0.000 local terms energy: -34.793751 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -7.406 flat angles P-C4'-P energy: -5.895 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: 8 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -59.238885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.238885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.238885 (E_RNA) where: Base-Base interactions energy: -26.975 where: short stacking energy: -26.975 Base-Backbone interact. energy: -0.006 local terms energy: -32.257325 where: bonds (distance) C4'-P energy: -6.168 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -8.299 flat angles P-C4'-P energy: -3.672 tors. eta vs tors. theta energy: -7.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -56.683626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.683626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.683626 (E_RNA) where: Base-Base interactions energy: -22.562 where: short stacking energy: -22.197 Base-Backbone interact. energy: -0.061 local terms energy: -34.060735 where: bonds (distance) C4'-P energy: -7.968 bonds (distance) P-C4' energy: -7.741 flat angles C4'-P-C4' energy: -8.462 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -43.353136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.353136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.353136 (E_RNA) where: Base-Base interactions energy: -13.718 where: short stacking energy: -13.718 Base-Backbone interact. energy: -0.040 local terms energy: -29.595443 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -5.429 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -4.992 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: 7, replica: 6 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -52.619950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.619950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.619950 (E_RNA) where: Base-Base interactions energy: -24.478 where: short stacking energy: -24.478 Base-Backbone interact. energy: -0.052 local terms energy: -28.090727 where: bonds (distance) C4'-P energy: -3.942 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: -8.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -47.894355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.894355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.894355 (E_RNA) where: Base-Base interactions energy: -23.084 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.134 local terms energy: -24.676039 where: bonds (distance) C4'-P energy: -2.918 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -5.140 flat angles P-C4'-P energy: -4.217 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: 9, replica: 5 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -42.674145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.674145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.674145 (E_RNA) where: Base-Base interactions energy: -16.095 where: short stacking energy: -16.095 Base-Backbone interact. energy: -0.006 local terms energy: -26.573115 where: bonds (distance) C4'-P energy: -5.418 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: 0.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -36.841265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.841265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.841265 (E_RNA) where: Base-Base interactions energy: -9.313 where: short stacking energy: -9.313 Base-Backbone interact. energy: 0.518 local terms energy: -28.046059 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -3.526 tors. eta vs tors. theta energy: -2.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -66.449339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.449339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.449339 (E_RNA) where: Base-Base interactions energy: -36.459 where: short stacking energy: -27.080 Base-Backbone interact. energy: -0.001 local terms energy: -29.989329 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -4.802 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -5.337 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: 2, replica: 4 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -58.821161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.821161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.821161 (E_RNA) where: Base-Base interactions energy: -27.335 where: short stacking energy: -27.335 Base-Backbone interact. energy: -0.001 local terms energy: -31.485821 where: bonds (distance) C4'-P energy: -5.269 bonds (distance) P-C4' energy: -7.534 flat angles C4'-P-C4' energy: -6.356 flat angles P-C4'-P energy: -5.132 tors. eta vs tors. theta energy: -7.194 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: 7 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -58.105473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.105473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.105473 (E_RNA) where: Base-Base interactions energy: -26.328 where: short stacking energy: -26.328 Base-Backbone interact. energy: -0.000 local terms energy: -31.777351 where: bonds (distance) C4'-P energy: -4.264 bonds (distance) P-C4' energy: -5.852 flat angles C4'-P-C4' energy: -9.359 flat angles P-C4'-P energy: -4.336 tors. eta vs tors. theta energy: -7.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -50.344184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.344184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.344184 (E_RNA) where: Base-Base interactions energy: -17.554 where: short stacking energy: -17.554 Base-Backbone interact. energy: -0.000 local terms energy: -32.790537 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -6.068 flat angles P-C4'-P energy: -6.165 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: 5, replica: 8 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -49.428196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.428196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.428196 (E_RNA) where: Base-Base interactions energy: -18.429 where: short stacking energy: -18.429 Base-Backbone interact. energy: -0.001 local terms energy: -30.998378 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -8.572 flat angles C4'-P-C4' energy: -7.191 flat angles P-C4'-P energy: -5.672 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -47.241130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.241130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.241130 (E_RNA) where: Base-Base interactions energy: -15.495 where: short stacking energy: -15.495 Base-Backbone interact. energy: -0.028 local terms energy: -31.718849 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -5.758 tors. eta vs tors. theta energy: -3.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -43.907464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.907464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.907464 (E_RNA) where: Base-Base interactions energy: -23.173 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.126 local terms energy: -20.609142 where: bonds (distance) C4'-P energy: -6.387 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -1.707 flat angles P-C4'-P energy: 0.388 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: 5 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -43.663799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.663799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.663799 (E_RNA) where: Base-Base interactions energy: -18.439 where: short stacking energy: -17.601 Base-Backbone interact. energy: -0.002 local terms energy: -25.222796 where: bonds (distance) C4'-P energy: -5.622 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.521 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -0.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -38.977630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.977630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.977630 (E_RNA) where: Base-Base interactions energy: -14.010 where: short stacking energy: -9.691 Base-Backbone interact. energy: -0.536 local terms energy: -24.431361 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -4.794 tors. eta vs tors. theta energy: 2.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -45.235404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.235404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.235404 (E_RNA) where: Base-Base interactions energy: -13.463 where: short stacking energy: -13.463 Base-Backbone interact. energy: -0.002 local terms energy: -31.771021 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -7.064 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -3.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -69.900256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.900256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.900256 (E_RNA) where: Base-Base interactions energy: -31.855 where: short stacking energy: -31.855 Base-Backbone interact. energy: -0.000 local terms energy: -38.045039 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -6.263 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: 2, replica: 2 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -59.553460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.553460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.553460 (E_RNA) where: Base-Base interactions energy: -23.900 where: short stacking energy: -23.900 Base-Backbone interact. energy: -0.043 local terms energy: -35.611243 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -8.813 flat angles P-C4'-P energy: -5.066 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: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -60.819591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.819591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.819591 (E_RNA) where: Base-Base interactions energy: -28.355 where: short stacking energy: -22.613 Base-Backbone interact. energy: -0.393 local terms energy: -32.072369 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -6.104 flat angles C4'-P-C4' energy: -7.868 flat angles P-C4'-P energy: -3.319 tors. eta vs tors. theta energy: -7.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -55.211249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.211249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.211249 (E_RNA) where: Base-Base interactions energy: -23.997 where: short stacking energy: -23.997 Base-Backbone interact. energy: -0.006 local terms energy: -31.208514 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.236 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -7.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -52.403934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.403934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.403934 (E_RNA) where: Base-Base interactions energy: -25.634 where: short stacking energy: -18.484 Base-Backbone interact. energy: -0.013 local terms energy: -26.757783 where: bonds (distance) C4'-P energy: -4.901 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.875 flat angles P-C4'-P energy: -4.650 tors. eta vs tors. theta energy: -3.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -50.971554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.971554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.971554 (E_RNA) where: Base-Base interactions energy: -17.042 where: short stacking energy: -17.042 Base-Backbone interact. energy: -0.001 local terms energy: -33.927597 where: bonds (distance) C4'-P energy: -5.377 bonds (distance) P-C4' energy: -8.244 flat angles C4'-P-C4' energy: -7.876 flat angles P-C4'-P energy: -7.102 tors. eta vs tors. theta energy: -5.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -46.129137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.129137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.129137 (E_RNA) where: Base-Base interactions energy: -19.048 where: short stacking energy: -19.048 Base-Backbone interact. energy: -0.001 local terms energy: -27.080140 where: bonds (distance) C4'-P energy: -5.857 bonds (distance) P-C4' energy: -7.082 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -3.289 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: 8, replica: 9 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -44.185045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.185045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.185045 (E_RNA) where: Base-Base interactions energy: -11.759 where: short stacking energy: -11.759 Base-Backbone interact. energy: -0.008 local terms energy: -32.418007 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.907 flat angles P-C4'-P energy: -6.119 tors. eta vs tors. theta energy: -1.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -47.646826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.646826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.646826 (E_RNA) where: Base-Base interactions energy: -24.040 where: short stacking energy: -13.107 Base-Backbone interact. energy: -0.062 local terms energy: -23.544417 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.484 flat angles C4'-P-C4' energy: -4.744 flat angles P-C4'-P energy: -3.726 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: 10, replica: 1 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -41.103249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.103249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.103249 (E_RNA) where: Base-Base interactions energy: -14.597 where: short stacking energy: -14.548 Base-Backbone interact. energy: -0.182 local terms energy: -26.324550 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.931 flat angles C4'-P-C4' energy: -6.716 flat angles P-C4'-P energy: -3.119 tors. eta vs tors. theta energy: -2.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -70.724061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.724061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.724061 (E_RNA) where: Base-Base interactions energy: -29.685 where: short stacking energy: -29.685 Base-Backbone interact. energy: -0.000 local terms energy: -41.039354 where: bonds (distance) C4'-P energy: -6.764 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -6.429 tors. eta vs tors. theta energy: -11.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -74.572447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.572447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.572447 (E_RNA) where: Base-Base interactions energy: -37.539 where: short stacking energy: -27.244 Base-Backbone interact. energy: -0.411 local terms energy: -36.622468 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.210 flat angles C4'-P-C4' energy: -8.078 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -6.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -53.610259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.610259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.610259 (E_RNA) where: Base-Base interactions energy: -23.799 where: short stacking energy: -23.799 Base-Backbone interact. energy: -0.100 local terms energy: -29.711491 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -7.825 flat angles P-C4'-P energy: -3.597 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: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -49.706783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.706783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.706783 (E_RNA) where: Base-Base interactions energy: -18.756 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.000 local terms energy: -30.950988 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -8.029 flat angles P-C4'-P energy: -2.919 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: 5, replica: 7 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -48.868110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.868110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.868110 (E_RNA) where: Base-Base interactions energy: -18.648 where: short stacking energy: -18.648 Base-Backbone interact. energy: -0.246 local terms energy: -29.975016 where: bonds (distance) C4'-P energy: -6.495 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.968 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -2.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -52.154566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.154566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.154566 (E_RNA) where: Base-Base interactions energy: -25.319 where: short stacking energy: -16.017 Base-Backbone interact. energy: -0.028 local terms energy: -26.807636 where: bonds (distance) C4'-P energy: -6.388 bonds (distance) P-C4' energy: -6.299 flat angles C4'-P-C4' energy: -6.006 flat angles P-C4'-P energy: -2.411 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: 8 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -50.983401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.983401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.983401 (E_RNA) where: Base-Base interactions energy: -19.394 where: short stacking energy: -19.022 Base-Backbone interact. energy: -0.099 local terms energy: -31.489604 where: bonds (distance) C4'-P energy: -7.634 bonds (distance) P-C4' energy: -7.488 flat angles C4'-P-C4' energy: -6.455 flat angles P-C4'-P energy: -5.018 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: 8, replica: 3 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -42.164361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.164361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.164361 (E_RNA) where: Base-Base interactions energy: -14.363 where: short stacking energy: -14.363 Base-Backbone interact. energy: 0.070 local terms energy: -27.871175 where: bonds (distance) C4'-P energy: -6.210 bonds (distance) P-C4' energy: -5.680 flat angles C4'-P-C4' energy: -6.816 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -3.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -47.601434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.601434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.601434 (E_RNA) where: Base-Base interactions energy: -15.756 where: short stacking energy: -15.756 Base-Backbone interact. energy: -0.010 local terms energy: -31.835844 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.138 flat angles P-C4'-P energy: -4.999 tors. eta vs tors. theta energy: -3.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -47.407769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.407769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.407769 (E_RNA) where: Base-Base interactions energy: -17.909 where: short stacking energy: -17.909 Base-Backbone interact. energy: -0.004 local terms energy: -29.494750 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -7.963 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -4.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -83.898155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.898155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.898155 (E_RNA) where: Base-Base interactions energy: -45.393 where: short stacking energy: -26.873 Base-Backbone interact. energy: -0.000 local terms energy: -38.505017 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -8.554 flat angles P-C4'-P energy: -3.508 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: 2, replica: 4 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -57.965947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.965947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.965947 (E_RNA) where: Base-Base interactions energy: -23.782 where: short stacking energy: -23.782 Base-Backbone interact. energy: -0.057 local terms energy: -34.126425 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.143 flat angles P-C4'-P energy: -4.378 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: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -55.469016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.469016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.469016 (E_RNA) where: Base-Base interactions energy: -25.540 where: short stacking energy: -25.540 Base-Backbone interact. energy: -0.012 local terms energy: -29.917153 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -2.991 flat angles C4'-P-C4' energy: -8.885 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -5.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -54.833834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.833834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.833834 (E_RNA) where: Base-Base interactions energy: -25.204 where: short stacking energy: -25.204 Base-Backbone interact. energy: -0.099 local terms energy: -29.530959 where: bonds (distance) C4'-P energy: -5.944 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.302 flat angles P-C4'-P energy: -5.623 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: 5, replica: 5 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -53.341081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.341081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.341081 (E_RNA) where: Base-Base interactions energy: -20.604 where: short stacking energy: -20.604 Base-Backbone interact. energy: -0.736 local terms energy: -32.001301 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.677 flat angles P-C4'-P energy: -3.731 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: 6, replica: 7 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -48.019026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.019026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.019026 (E_RNA) where: Base-Base interactions energy: -15.625 where: short stacking energy: -15.625 Base-Backbone interact. energy: -0.018 local terms energy: -32.375674 where: bonds (distance) C4'-P energy: -7.679 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -5.569 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: 7, replica: 8 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -55.668291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.668291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.668291 (E_RNA) where: Base-Base interactions energy: -24.088 where: short stacking energy: -24.088 Base-Backbone interact. energy: -0.032 local terms energy: -31.548125 where: bonds (distance) C4'-P energy: -6.959 bonds (distance) P-C4' energy: -7.985 flat angles C4'-P-C4' energy: -4.941 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -45.520749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.520749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.520749 (E_RNA) where: Base-Base interactions energy: -14.739 where: short stacking energy: -14.739 Base-Backbone interact. energy: -0.068 local terms energy: -30.713897 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -4.173 tors. eta vs tors. theta energy: -2.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -41.094480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.094480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.094480 (E_RNA) where: Base-Base interactions energy: -15.897 where: short stacking energy: -11.335 Base-Backbone interact. energy: -0.186 local terms energy: -25.011103 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -6.257 flat angles P-C4'-P energy: -3.117 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: 10, replica: 9 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -42.448158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.448158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.448158 (E_RNA) where: Base-Base interactions energy: -12.699 where: short stacking energy: -9.192 Base-Backbone interact. energy: -0.016 local terms energy: -29.733036 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -5.371 tors. eta vs tors. theta energy: 1.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -73.284028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.284028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.284028 (E_RNA) where: Base-Base interactions energy: -38.447 where: short stacking energy: -21.435 Base-Backbone interact. energy: -0.109 local terms energy: -34.728119 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.337 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.493 tors. eta vs tors. theta energy: -6.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -57.390097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.390097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.390097 (E_RNA) where: Base-Base interactions energy: -25.411 where: short stacking energy: -25.411 Base-Backbone interact. energy: -0.003 local terms energy: -31.976109 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -5.308 flat angles C4'-P-C4' energy: -7.614 flat angles P-C4'-P energy: -6.754 tors. eta vs tors. theta energy: -3.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -59.823051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.823051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.823051 (E_RNA) where: Base-Base interactions energy: -23.464 where: short stacking energy: -23.464 Base-Backbone interact. energy: -0.000 local terms energy: -36.359369 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -7.124 flat angles P-C4'-P energy: -6.141 tors. eta vs tors. theta energy: -8.535 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: 10 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -51.226350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.226350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.226350 (E_RNA) where: Base-Base interactions energy: -20.261 where: short stacking energy: -20.261 Base-Backbone interact. energy: -0.056 local terms energy: -30.909775 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -5.562 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: 5, replica: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -50.453471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.453471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.453471 (E_RNA) where: Base-Base interactions energy: -18.012 where: short stacking energy: -13.123 Base-Backbone interact. energy: -0.368 local terms energy: -32.073842 where: bonds (distance) C4'-P energy: -8.217 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -8.572 flat angles P-C4'-P energy: -4.976 tors. eta vs tors. theta energy: -0.992 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: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -43.318071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.318071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.318071 (E_RNA) where: Base-Base interactions energy: -14.411 where: short stacking energy: -14.411 Base-Backbone interact. energy: -0.126 local terms energy: -28.780828 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.120 flat angles C4'-P-C4' energy: -8.236 flat angles P-C4'-P energy: -2.091 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: 7, replica: 8 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -55.440791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.440791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.440791 (E_RNA) where: Base-Base interactions energy: -24.560 where: short stacking energy: -24.560 Base-Backbone interact. energy: -0.000 local terms energy: -30.880788 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.354 flat angles P-C4'-P energy: -2.491 tors. eta vs tors. theta energy: -6.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -41.475207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.475207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.475207 (E_RNA) where: Base-Base interactions energy: -14.310 where: short stacking energy: -12.656 Base-Backbone interact. energy: -0.012 local terms energy: -27.153510 where: bonds (distance) C4'-P energy: -5.030 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -8.014 flat angles P-C4'-P energy: -3.293 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: 9, replica: 1 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -46.123435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.123435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.123435 (E_RNA) where: Base-Base interactions energy: -15.824 where: short stacking energy: -15.824 Base-Backbone interact. energy: -0.077 local terms energy: -30.222885 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -6.999 flat angles P-C4'-P energy: -4.599 tors. eta vs tors. theta energy: -2.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -47.094153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.094153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.094153 (E_RNA) where: Base-Base interactions energy: -19.888 where: short stacking energy: -19.888 Base-Backbone interact. energy: -0.000 local terms energy: -27.205853 where: bonds (distance) C4'-P energy: -7.443 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -4.726 flat angles P-C4'-P energy: -3.851 tors. eta vs tors. theta energy: -3.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -75.780620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.780620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.780620 (E_RNA) where: Base-Base interactions energy: -35.448 where: short stacking energy: -35.448 Base-Backbone interact. energy: -0.000 local terms energy: -40.332773 where: bonds (distance) C4'-P energy: -7.083 bonds (distance) P-C4' energy: -6.674 flat angles C4'-P-C4' energy: -9.149 flat angles P-C4'-P energy: -6.625 tors. eta vs tors. theta energy: -10.801 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: 2 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -65.607951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.607951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.607951 (E_RNA) where: Base-Base interactions energy: -30.390 where: short stacking energy: -26.260 Base-Backbone interact. energy: -0.000 local terms energy: -35.217983 where: bonds (distance) C4'-P energy: -7.497 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.534 flat angles P-C4'-P energy: -5.755 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: 3, replica: 10 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -61.534581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.534581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.534581 (E_RNA) where: Base-Base interactions energy: -28.531 where: short stacking energy: -18.302 Base-Backbone interact. energy: -0.044 local terms energy: -32.959699 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -6.272 flat angles P-C4'-P energy: -5.529 tors. eta vs tors. theta energy: -3.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -55.771540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.771540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.771540 (E_RNA) where: Base-Base interactions energy: -23.847 where: short stacking energy: -23.847 Base-Backbone interact. energy: -0.000 local terms energy: -31.924002 where: bonds (distance) C4'-P energy: -4.445 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -5.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -50.693495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.693495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.693495 (E_RNA) where: Base-Base interactions energy: -17.628 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.100 local terms energy: -32.965536 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.048 flat angles C4'-P-C4' energy: -6.464 flat angles P-C4'-P energy: -5.740 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: 6, replica: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -58.983148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.983148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.983148 (E_RNA) where: Base-Base interactions energy: -23.839 where: short stacking energy: -23.839 Base-Backbone interact. energy: -0.000 local terms energy: -35.144109 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -6.012 flat angles P-C4'-P energy: -6.938 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: 7, replica: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -42.845988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.845988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.845988 (E_RNA) where: Base-Base interactions energy: -12.026 where: short stacking energy: -11.609 Base-Backbone interact. energy: -0.029 local terms energy: -30.790425 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -6.252 flat angles C4'-P-C4' energy: -7.895 flat angles P-C4'-P energy: -6.593 tors. eta vs tors. theta energy: -2.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -47.724603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.724603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.724603 (E_RNA) where: Base-Base interactions energy: -24.638 where: short stacking energy: -20.644 Base-Backbone interact. energy: 1.782 local terms energy: -24.867673 where: bonds (distance) C4'-P energy: -6.095 bonds (distance) P-C4' energy: -6.675 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: 0.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -49.351473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.351473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.351473 (E_RNA) where: Base-Base interactions energy: -14.497 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.014 local terms energy: -34.840063 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -8.472 flat angles P-C4'-P energy: -5.247 tors. eta vs tors. theta energy: -5.008 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: 10, replica: 1 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -47.116220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.116220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.116220 (E_RNA) where: Base-Base interactions energy: -21.318 where: short stacking energy: -20.671 Base-Backbone interact. energy: -0.016 local terms energy: -25.782697 where: bonds (distance) C4'-P energy: -6.230 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -4.435 flat angles P-C4'-P energy: -4.192 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: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -68.159095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.159095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.159095 (E_RNA) where: Base-Base interactions energy: -30.743 where: short stacking energy: -30.743 Base-Backbone interact. energy: -0.000 local terms energy: -37.415561 where: bonds (distance) C4'-P energy: -5.527 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.093 flat angles P-C4'-P energy: -5.705 tors. eta vs tors. theta energy: -9.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -69.166072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.166072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.166072 (E_RNA) where: Base-Base interactions energy: -31.629 where: short stacking energy: -31.629 Base-Backbone interact. energy: -0.010 local terms energy: -37.527243 where: bonds (distance) C4'-P energy: -6.975 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.394 flat angles P-C4'-P energy: -7.129 tors. eta vs tors. theta energy: -9.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -57.764990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.764990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.764990 (E_RNA) where: Base-Base interactions energy: -23.321 where: short stacking energy: -22.651 Base-Backbone interact. energy: -0.006 local terms energy: -34.437643 where: bonds (distance) C4'-P energy: -6.645 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.668 flat angles P-C4'-P energy: -6.203 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -63.393618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.393618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.393618 (E_RNA) where: Base-Base interactions energy: -27.306 where: short stacking energy: -27.306 Base-Backbone interact. energy: -0.002 local terms energy: -36.085802 where: bonds (distance) C4'-P energy: -6.209 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.975 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -8.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -59.520639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.520639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.520639 (E_RNA) where: Base-Base interactions energy: -24.620 where: short stacking energy: -24.620 Base-Backbone interact. energy: -0.000 local terms energy: -34.900410 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -6.811 flat angles P-C4'-P energy: -5.479 tors. eta vs tors. theta energy: -7.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -52.060835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.060835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.060835 (E_RNA) where: Base-Base interactions energy: -25.939 where: short stacking energy: -25.939 Base-Backbone interact. energy: -0.006 local terms energy: -26.115805 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -5.861 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.267 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -46.420344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.420344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.420344 (E_RNA) where: Base-Base interactions energy: -19.009 where: short stacking energy: -11.698 Base-Backbone interact. energy: -0.011 local terms energy: -27.400734 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -7.685 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -43.909162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.909162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.909162 (E_RNA) where: Base-Base interactions energy: -11.237 where: short stacking energy: -10.451 Base-Backbone interact. energy: -0.022 local terms energy: -32.649731 where: bonds (distance) C4'-P energy: -6.405 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -7.264 flat angles P-C4'-P energy: -5.911 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -46.200337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.200337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.200337 (E_RNA) where: Base-Base interactions energy: -20.902 where: short stacking energy: -20.902 Base-Backbone interact. energy: -0.048 local terms energy: -25.250024 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -4.760 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -2.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -47.054273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.054273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.054273 (E_RNA) where: Base-Base interactions energy: -15.551 where: short stacking energy: -11.001 Base-Backbone interact. energy: -0.010 local terms energy: -31.493225 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -6.273 flat angles P-C4'-P energy: -4.575 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: 1, replica: 10 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -64.723189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.723189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.723189 (E_RNA) where: Base-Base interactions energy: -29.271 where: short stacking energy: -29.271 Base-Backbone interact. energy: -0.001 local terms energy: -35.451775 where: bonds (distance) C4'-P energy: -4.748 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -7.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -71.421952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.421952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.421952 (E_RNA) where: Base-Base interactions energy: -38.321 where: short stacking energy: -29.628 Base-Backbone interact. energy: -0.003 local terms energy: -33.098430 where: bonds (distance) C4'-P energy: -3.931 bonds (distance) P-C4' energy: -8.566 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -5.537 tors. eta vs tors. theta energy: -7.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -59.512719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.512719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.512719 (E_RNA) where: Base-Base interactions energy: -21.029 where: short stacking energy: -21.029 Base-Backbone interact. energy: -0.075 local terms energy: -38.409225 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -8.439 flat angles P-C4'-P energy: -6.332 tors. eta vs tors. theta energy: -7.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -61.774684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.774684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.774684 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -18.329 Base-Backbone interact. energy: -0.020 local terms energy: -32.364469 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -9.031 flat angles C4'-P-C4' energy: -7.472 flat angles P-C4'-P energy: -5.728 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: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -50.960854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.960854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.960854 (E_RNA) where: Base-Base interactions energy: -21.511 where: short stacking energy: -21.321 Base-Backbone interact. energy: -0.015 local terms energy: -29.435186 where: bonds (distance) C4'-P energy: -6.897 bonds (distance) P-C4' energy: -6.026 flat angles C4'-P-C4' energy: -5.993 flat angles P-C4'-P energy: -6.360 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: 6, replica: 5 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -53.836326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.836326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.836326 (E_RNA) where: Base-Base interactions energy: -20.690 where: short stacking energy: -20.690 Base-Backbone interact. energy: -0.005 local terms energy: -33.141166 where: bonds (distance) C4'-P energy: -6.291 bonds (distance) P-C4' energy: -6.161 flat angles C4'-P-C4' energy: -8.423 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -7.093 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: 398 Temperature: 1.200000 Total energy: -49.536056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.536056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.536056 (E_RNA) where: Base-Base interactions energy: -22.257 where: short stacking energy: -22.257 Base-Backbone interact. energy: -0.002 local terms energy: -27.276798 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -5.554 flat angles C4'-P-C4' energy: -5.128 flat angles P-C4'-P energy: -3.774 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: 8, replica: 3 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -48.658232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.658232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.658232 (E_RNA) where: Base-Base interactions energy: -18.022 where: short stacking energy: -18.022 Base-Backbone interact. energy: -0.009 local terms energy: -30.626884 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.686 flat angles P-C4'-P energy: -3.552 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: 9, replica: 1 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -48.774314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.774314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.774314 (E_RNA) where: Base-Base interactions energy: -19.106 where: short stacking energy: -19.106 Base-Backbone interact. energy: -0.021 local terms energy: -29.647198 where: bonds (distance) C4'-P energy: -4.285 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.706 flat angles P-C4'-P energy: -3.500 tors. eta vs tors. theta energy: -6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -46.140448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.140448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.140448 (E_RNA) where: Base-Base interactions energy: -17.510 where: short stacking energy: -17.510 Base-Backbone interact. energy: -0.026 local terms energy: -28.604178 where: bonds (distance) C4'-P energy: -5.708 bonds (distance) P-C4' energy: -7.523 flat angles C4'-P-C4' energy: -5.285 flat angles P-C4'-P energy: -6.478 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -68.134131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.134131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.134131 (E_RNA) where: Base-Base interactions energy: -33.087 where: short stacking energy: -24.647 Base-Backbone interact. energy: -0.002 local terms energy: -35.044627 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.510 flat angles P-C4'-P energy: -4.881 tors. eta vs tors. theta energy: -5.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -57.608688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.608688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.608688 (E_RNA) where: Base-Base interactions energy: -23.888 where: short stacking energy: -20.708 Base-Backbone interact. energy: -0.202 local terms energy: -33.518578 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -9.173 flat angles P-C4'-P energy: -5.578 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -71.868516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.868516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.868516 (E_RNA) where: Base-Base interactions energy: -36.115 where: short stacking energy: -25.219 Base-Backbone interact. energy: -0.018 local terms energy: -35.735744 where: bonds (distance) C4'-P energy: -7.724 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -7.028 flat angles P-C4'-P energy: -6.628 tors. eta vs tors. theta energy: -5.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -53.296877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.296877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.296877 (E_RNA) where: Base-Base interactions energy: -19.198 where: short stacking energy: -18.965 Base-Backbone interact. energy: -0.001 local terms energy: -34.098368 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -5.342 flat angles P-C4'-P energy: -4.842 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: 5, replica: 2 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -45.906076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906076 (E_RNA) where: Base-Base interactions energy: -23.590 where: short stacking energy: -20.968 Base-Backbone interact. energy: -0.098 local terms energy: -22.218432 where: bonds (distance) C4'-P energy: -3.904 bonds (distance) P-C4' energy: -6.238 flat angles C4'-P-C4' energy: -8.638 flat angles P-C4'-P energy: -3.132 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: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -52.665483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.665483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.665483 (E_RNA) where: Base-Base interactions energy: -19.989 where: short stacking energy: -19.989 Base-Backbone interact. energy: -0.000 local terms energy: -32.676580 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.462 flat angles P-C4'-P energy: -5.959 tors. eta vs tors. theta energy: -2.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -48.248556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.248556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.248556 (E_RNA) where: Base-Base interactions energy: -20.966 where: short stacking energy: -16.485 Base-Backbone interact. energy: -0.188 local terms energy: -27.094394 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -7.072 flat angles C4'-P-C4' energy: -7.582 flat angles P-C4'-P energy: -2.821 tors. eta vs tors. theta energy: -2.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -44.673091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.673091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.673091 (E_RNA) where: Base-Base interactions energy: -18.936 where: short stacking energy: -14.698 Base-Backbone interact. energy: -0.000 local terms energy: -25.736872 where: bonds (distance) C4'-P energy: -6.416 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.019 flat angles P-C4'-P energy: -2.238 tors. eta vs tors. theta energy: -3.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -47.553861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.553861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.553861 (E_RNA) where: Base-Base interactions energy: -16.759 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.006 local terms energy: -30.788811 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -7.166 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -2.501 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: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -44.629140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.629140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.629140 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -5.329 Base-Backbone interact. energy: -0.012 local terms energy: -24.314650 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -3.943 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: 0.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -73.342999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.342999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.342999 (E_RNA) where: Base-Base interactions energy: -37.374 where: short stacking energy: -25.278 Base-Backbone interact. energy: -0.002 local terms energy: -35.967555 where: bonds (distance) C4'-P energy: -8.929 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -7.087 flat angles P-C4'-P energy: -5.776 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: 2, replica: 10 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -63.149696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.149696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.149696 (E_RNA) where: Base-Base interactions energy: -34.613 where: short stacking energy: -24.484 Base-Backbone interact. energy: -0.009 local terms energy: -28.527403 where: bonds (distance) C4'-P energy: -7.825 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.855 flat angles P-C4'-P energy: -3.387 tors. eta vs tors. theta energy: -2.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -57.705007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.705007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.705007 (E_RNA) where: Base-Base interactions energy: -24.714 where: short stacking energy: -24.714 Base-Backbone interact. energy: -0.016 local terms energy: -32.975398 where: bonds (distance) C4'-P energy: -9.153 bonds (distance) P-C4' energy: -3.690 flat angles C4'-P-C4' energy: -7.259 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -7.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -63.904825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.904825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.904825 (E_RNA) where: Base-Base interactions energy: -25.967 where: short stacking energy: -22.440 Base-Backbone interact. energy: -0.007 local terms energy: -37.930448 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -8.357 flat angles P-C4'-P energy: -6.029 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: 5, replica: 9 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -46.124748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.124748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.124748 (E_RNA) where: Base-Base interactions energy: -18.957 where: short stacking energy: -16.181 Base-Backbone interact. energy: 0.198 local terms energy: -27.365519 where: bonds (distance) C4'-P energy: -7.585 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -5.224 flat angles P-C4'-P energy: -5.425 tors. eta vs tors. theta energy: -0.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -57.310617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.310617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.310617 (E_RNA) where: Base-Base interactions energy: -22.325 where: short stacking energy: -21.329 Base-Backbone interact. energy: -0.020 local terms energy: -34.965114 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.622 flat angles P-C4'-P energy: -5.796 tors. eta vs tors. theta energy: -3.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -48.715553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.715553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.715553 (E_RNA) where: Base-Base interactions energy: -20.141 where: short stacking energy: -20.141 Base-Backbone interact. energy: -0.000 local terms energy: -28.574374 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -6.593 flat angles C4'-P-C4' energy: -4.763 flat angles P-C4'-P energy: -4.654 tors. eta vs tors. theta energy: -6.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -49.445772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.445772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.445772 (E_RNA) where: Base-Base interactions energy: -22.146 where: short stacking energy: -19.365 Base-Backbone interact. energy: -0.002 local terms energy: -27.298029 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.773 flat angles P-C4'-P energy: -2.980 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: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -44.281880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.281880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.281880 (E_RNA) where: Base-Base interactions energy: -20.348 where: short stacking energy: -12.082 Base-Backbone interact. energy: -0.001 local terms energy: -23.932367 where: bonds (distance) C4'-P energy: -7.249 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.505 flat angles P-C4'-P energy: -1.595 tors. eta vs tors. theta energy: -0.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -41.275460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.275460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.275460 (E_RNA) where: Base-Base interactions energy: -14.275 where: short stacking energy: -14.275 Base-Backbone interact. energy: -0.005 local terms energy: -26.995143 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -2.867 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: 1, replica: 4 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -73.929407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.929407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.929407 (E_RNA) where: Base-Base interactions energy: -39.784 where: short stacking energy: -28.763 Base-Backbone interact. energy: -0.025 local terms energy: -34.120631 where: bonds (distance) C4'-P energy: -6.703 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -8.679 flat angles P-C4'-P energy: -6.446 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -61.565747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.565747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.565747 (E_RNA) where: Base-Base interactions energy: -31.202 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.027 local terms energy: -30.337467 where: bonds (distance) C4'-P energy: -7.490 bonds (distance) P-C4' energy: -8.346 flat angles C4'-P-C4' energy: -7.429 flat angles P-C4'-P energy: -4.199 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -64.421088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.421088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.421088 (E_RNA) where: Base-Base interactions energy: -38.961 where: short stacking energy: -14.556 Base-Backbone interact. energy: -0.120 local terms energy: -25.339690 where: bonds (distance) C4'-P energy: -3.424 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -6.074 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -0.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -51.261784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.261784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.261784 (E_RNA) where: Base-Base interactions energy: -17.723 where: short stacking energy: -17.723 Base-Backbone interact. energy: -0.026 local terms energy: -33.513029 where: bonds (distance) C4'-P energy: -7.112 bonds (distance) P-C4' energy: -9.134 flat angles C4'-P-C4' energy: -7.806 flat angles P-C4'-P energy: -5.568 tors. eta vs tors. theta energy: -3.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -51.682132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.682132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.682132 (E_RNA) where: Base-Base interactions energy: -16.862 where: short stacking energy: -16.862 Base-Backbone interact. energy: -0.071 local terms energy: -34.748981 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.459 flat angles P-C4'-P energy: -5.860 tors. eta vs tors. theta energy: -4.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -52.198929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.198929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.198929 (E_RNA) where: Base-Base interactions energy: -21.322 where: short stacking energy: -21.014 Base-Backbone interact. energy: -0.000 local terms energy: -30.877346 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.980 flat angles C4'-P-C4' energy: -6.419 flat angles P-C4'-P energy: -5.695 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: 2 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -62.615519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.615519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.615519 (E_RNA) where: Base-Base interactions energy: -27.343 where: short stacking energy: -27.343 Base-Backbone interact. energy: -0.001 local terms energy: -35.272265 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -7.043 flat angles C4'-P-C4' energy: -5.667 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -8.766 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: 8 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -46.311307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.311307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.311307 (E_RNA) where: Base-Base interactions energy: -14.509 where: short stacking energy: -14.509 Base-Backbone interact. energy: -0.000 local terms energy: -31.802475 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -6.901 flat angles C4'-P-C4' energy: -9.189 flat angles P-C4'-P energy: -6.226 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: 9, replica: 5 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -46.656684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.656684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.656684 (E_RNA) where: Base-Base interactions energy: -16.434 where: short stacking energy: -16.434 Base-Backbone interact. energy: -0.008 local terms energy: -30.214421 where: bonds (distance) C4'-P energy: -4.537 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -5.657 flat angles P-C4'-P energy: -7.367 tors. eta vs tors. theta energy: -5.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -41.985380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.985380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.985380 (E_RNA) where: Base-Base interactions energy: -15.584 where: short stacking energy: -10.714 Base-Backbone interact. energy: -0.007 local terms energy: -26.394347 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -4.447 flat angles P-C4'-P energy: -4.262 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: 402 Temperature: 0.900000 Total energy: -79.536776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.536776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.536776 (E_RNA) where: Base-Base interactions energy: -46.938 where: short stacking energy: -23.368 Base-Backbone interact. energy: -0.062 local terms energy: -32.537191 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.727 flat angles C4'-P-C4' energy: -7.835 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -62.112718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.112718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.112718 (E_RNA) where: Base-Base interactions energy: -24.097 where: short stacking energy: -24.097 Base-Backbone interact. energy: -0.091 local terms energy: -37.924084 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -8.184 flat angles P-C4'-P energy: -6.740 tors. eta vs tors. theta energy: -6.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -59.373072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.373072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.373072 (E_RNA) where: Base-Base interactions energy: -26.709 where: short stacking energy: -15.423 Base-Backbone interact. energy: -2.261 local terms energy: -30.403103 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -5.174 flat angles P-C4'-P energy: -3.477 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: 4, replica: 10 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -57.441593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.441593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.441593 (E_RNA) where: Base-Base interactions energy: -21.559 where: short stacking energy: -21.559 Base-Backbone interact. energy: -0.004 local terms energy: -35.878400 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.751 flat angles P-C4'-P energy: -5.067 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: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -62.135972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.135972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.135972 (E_RNA) where: Base-Base interactions energy: -27.749 where: short stacking energy: -27.749 Base-Backbone interact. energy: -0.008 local terms energy: -34.378670 where: bonds (distance) C4'-P energy: -7.559 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.980 flat angles P-C4'-P energy: -5.293 tors. eta vs tors. theta energy: -6.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -47.371450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.371450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.371450 (E_RNA) where: Base-Base interactions energy: -19.909 where: short stacking energy: -19.909 Base-Backbone interact. energy: -0.000 local terms energy: -27.461490 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -1.431 tors. eta vs tors. theta energy: -5.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -49.664053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.664053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.664053 (E_RNA) where: Base-Base interactions energy: -21.970 where: short stacking energy: -21.970 Base-Backbone interact. energy: -0.001 local terms energy: -27.692870 where: bonds (distance) C4'-P energy: -5.344 bonds (distance) P-C4' energy: -7.799 flat angles C4'-P-C4' energy: -7.381 flat angles P-C4'-P energy: -6.833 tors. eta vs tors. theta energy: -0.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -46.081324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.081324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.081324 (E_RNA) where: Base-Base interactions energy: -17.243 where: short stacking energy: -17.123 Base-Backbone interact. energy: -0.025 local terms energy: -28.812899 where: bonds (distance) C4'-P energy: -7.844 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -5.922 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -46.542763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.542763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.542763 (E_RNA) where: Base-Base interactions energy: -20.398 where: short stacking energy: -15.638 Base-Backbone interact. energy: -0.351 local terms energy: -25.793831 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -6.710 flat angles C4'-P-C4' energy: -7.802 flat angles P-C4'-P energy: -0.209 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -35.874542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.874542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.874542 (E_RNA) where: Base-Base interactions energy: -5.735 where: short stacking energy: -5.493 Base-Backbone interact. energy: -0.000 local terms energy: -30.138671 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -6.270 flat angles C4'-P-C4' energy: -7.386 flat angles P-C4'-P energy: -3.757 tors. eta vs tors. theta energy: -4.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -71.926197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.926197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.926197 (E_RNA) where: Base-Base interactions energy: -43.896 where: short stacking energy: -23.931 Base-Backbone interact. energy: 0.208 local terms energy: -28.238434 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -8.597 flat angles C4'-P-C4' energy: -6.949 flat angles P-C4'-P energy: -3.955 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: 2, replica: 4 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -62.418382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.418382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.418382 (E_RNA) where: Base-Base interactions energy: -25.713 where: short stacking energy: -25.713 Base-Backbone interact. energy: -0.001 local terms energy: -36.704689 where: bonds (distance) C4'-P energy: -8.582 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -6.593 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -7.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -57.127226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.127226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.127226 (E_RNA) where: Base-Base interactions energy: -23.126 where: short stacking energy: -23.126 Base-Backbone interact. energy: -0.047 local terms energy: -33.954144 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -6.489 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: 4, replica: 1 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -55.929790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.929790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.929790 (E_RNA) where: Base-Base interactions energy: -26.234 where: short stacking energy: -26.234 Base-Backbone interact. energy: -0.005 local terms energy: -29.691316 where: bonds (distance) C4'-P energy: -4.658 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.602 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -5.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -50.093732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.093732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.093732 (E_RNA) where: Base-Base interactions energy: -21.883 where: short stacking energy: -8.875 Base-Backbone interact. energy: -1.152 local terms energy: -27.058100 where: bonds (distance) C4'-P energy: -5.998 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -6.541 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: 0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -48.202609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.202609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.202609 (E_RNA) where: Base-Base interactions energy: -19.338 where: short stacking energy: -18.110 Base-Backbone interact. energy: -1.057 local terms energy: -27.807152 where: bonds (distance) C4'-P energy: -5.129 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -6.761 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -45.795546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.795546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.795546 (E_RNA) where: Base-Base interactions energy: -25.147 where: short stacking energy: -16.154 Base-Backbone interact. energy: -0.157 local terms energy: -20.491919 where: bonds (distance) C4'-P energy: -3.647 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -6.800 flat angles P-C4'-P energy: -2.098 tors. eta vs tors. theta energy: 0.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -48.603376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.603376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.603376 (E_RNA) where: Base-Base interactions energy: -19.412 where: short stacking energy: -19.412 Base-Backbone interact. energy: -0.002 local terms energy: -29.189313 where: bonds (distance) C4'-P energy: -5.473 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.954 tors. eta vs tors. theta energy: -2.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -50.090089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.090089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.090089 (E_RNA) where: Base-Base interactions energy: -23.383 where: short stacking energy: -17.082 Base-Backbone interact. energy: -0.070 local terms energy: -26.636583 where: bonds (distance) C4'-P energy: -5.480 bonds (distance) P-C4' energy: -8.007 flat angles C4'-P-C4' energy: -6.119 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -2.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -42.388054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.388054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.388054 (E_RNA) where: Base-Base interactions energy: -16.446 where: short stacking energy: -16.446 Base-Backbone interact. energy: -0.005 local terms energy: -25.937252 where: bonds (distance) C4'-P energy: -4.712 bonds (distance) P-C4' energy: -6.302 flat angles C4'-P-C4' energy: -7.786 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -2.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -64.263129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.263129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.263129 (E_RNA) where: Base-Base interactions energy: -33.823 where: short stacking energy: -20.081 Base-Backbone interact. energy: -0.010 local terms energy: -30.429938 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -8.214 flat angles C4'-P-C4' energy: -9.019 flat angles P-C4'-P energy: -2.994 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: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -64.812780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.812780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.812780 (E_RNA) where: Base-Base interactions energy: -33.327 where: short stacking energy: -21.891 Base-Backbone interact. energy: -0.002 local terms energy: -31.483772 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.060 flat angles P-C4'-P energy: -3.473 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: 3, replica: 1 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -60.825936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.825936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.825936 (E_RNA) where: Base-Base interactions energy: -27.490 where: short stacking energy: -27.490 Base-Backbone interact. energy: -0.001 local terms energy: -33.334279 where: bonds (distance) C4'-P energy: -5.290 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -7.045 flat angles P-C4'-P energy: -5.233 tors. eta vs tors. theta energy: -6.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -52.793909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.793909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.793909 (E_RNA) where: Base-Base interactions energy: -22.631 where: short stacking energy: -20.952 Base-Backbone interact. energy: -0.590 local terms energy: -29.572610 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -3.808 tors. eta vs tors. theta energy: -3.587 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: 8 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -53.003644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.003644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.003644 (E_RNA) where: Base-Base interactions energy: -18.426 where: short stacking energy: -18.426 Base-Backbone interact. energy: -0.000 local terms energy: -34.577177 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.555 flat angles P-C4'-P energy: -4.481 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: 6, replica: 10 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -54.075310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.075310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.075310 (E_RNA) where: Base-Base interactions energy: -23.489 where: short stacking energy: -21.159 Base-Backbone interact. energy: -0.223 local terms energy: -30.362435 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.797 flat angles P-C4'-P energy: -4.642 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: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -43.694779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.694779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.694779 (E_RNA) where: Base-Base interactions energy: -9.514 where: short stacking energy: -9.514 Base-Backbone interact. energy: -0.020 local terms energy: -34.161305 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -6.390 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: 8, replica: 9 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -47.185953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.185953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.185953 (E_RNA) where: Base-Base interactions energy: -21.005 where: short stacking energy: -16.767 Base-Backbone interact. energy: -0.076 local terms energy: -26.105328 where: bonds (distance) C4'-P energy: -6.462 bonds (distance) P-C4' energy: -3.454 flat angles C4'-P-C4' energy: -8.971 flat angles P-C4'-P energy: -5.526 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -46.615004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.615004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.615004 (E_RNA) where: Base-Base interactions energy: -17.475 where: short stacking energy: -17.475 Base-Backbone interact. energy: -0.011 local terms energy: -29.128902 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -5.681 flat angles P-C4'-P energy: -6.617 tors. eta vs tors. theta energy: -1.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -39.021250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.021250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.021250 (E_RNA) where: Base-Base interactions energy: -16.875 where: short stacking energy: -14.184 Base-Backbone interact. energy: -0.594 local terms energy: -21.551994 where: bonds (distance) C4'-P energy: -6.392 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.921 flat angles P-C4'-P energy: -4.742 tors. eta vs tors. theta energy: 1.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -66.169635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.169635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.169635 (E_RNA) where: Base-Base interactions energy: -30.886 where: short stacking energy: -17.749 Base-Backbone interact. energy: -0.004 local terms energy: -35.279617 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.546 flat angles P-C4'-P energy: -4.902 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: 2, replica: 1 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -55.397032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.397032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.397032 (E_RNA) where: Base-Base interactions energy: -26.023 where: short stacking energy: -19.674 Base-Backbone interact. energy: -0.000 local terms energy: -29.374001 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -6.005 flat angles C4'-P-C4' energy: -6.798 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -56.687601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.687601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.687601 (E_RNA) where: Base-Base interactions energy: -28.014 where: short stacking energy: -28.014 Base-Backbone interact. energy: -0.000 local terms energy: -28.673208 where: bonds (distance) C4'-P energy: -8.788 bonds (distance) P-C4' energy: -7.077 flat angles C4'-P-C4' energy: -4.124 flat angles P-C4'-P energy: -3.695 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -68.679555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.679555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.679555 (E_RNA) where: Base-Base interactions energy: -34.059 where: short stacking energy: -32.667 Base-Backbone interact. energy: -0.006 local terms energy: -34.614972 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.407 flat angles C4'-P-C4' energy: -5.659 flat angles P-C4'-P energy: -6.404 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: 5, replica: 8 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -48.799266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.799266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.799266 (E_RNA) where: Base-Base interactions energy: -20.563 where: short stacking energy: -20.563 Base-Backbone interact. energy: -0.000 local terms energy: -28.236520 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -7.438 flat angles C4'-P-C4' energy: -6.159 flat angles P-C4'-P energy: -4.280 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: 6, replica: 3 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -53.894993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.894993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.894993 (E_RNA) where: Base-Base interactions energy: -19.773 where: short stacking energy: -19.773 Base-Backbone interact. energy: -0.000 local terms energy: -34.121736 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -6.008 flat angles C4'-P-C4' energy: -7.538 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -8.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -48.292582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.292582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.292582 (E_RNA) where: Base-Base interactions energy: -19.105 where: short stacking energy: -19.105 Base-Backbone interact. energy: 0.168 local terms energy: -29.355042 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.114 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -50.276799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.276799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.276799 (E_RNA) where: Base-Base interactions energy: -19.125 where: short stacking energy: -19.125 Base-Backbone interact. energy: -0.067 local terms energy: -31.085465 where: bonds (distance) C4'-P energy: -6.343 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -8.997 flat angles P-C4'-P energy: -0.577 tors. eta vs tors. theta energy: -5.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -41.007699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.007699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.007699 (E_RNA) where: Base-Base interactions energy: -13.600 where: short stacking energy: -12.194 Base-Backbone interact. energy: -0.012 local terms energy: -27.395889 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.217 flat angles C4'-P-C4' energy: -8.335 flat angles P-C4'-P energy: -4.973 tors. eta vs tors. theta energy: 0.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -44.826785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.826785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.826785 (E_RNA) where: Base-Base interactions energy: -14.224 where: short stacking energy: -14.224 Base-Backbone interact. energy: -0.001 local terms energy: -30.601780 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -7.423 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -3.669 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: 1, replica: 4 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -75.944680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.944680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.944680 (E_RNA) where: Base-Base interactions energy: -42.336 where: short stacking energy: -27.543 Base-Backbone interact. energy: 2.503 local terms energy: -36.111088 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -7.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -60.973384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.973384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.973384 (E_RNA) where: Base-Base interactions energy: -26.229 where: short stacking energy: -26.229 Base-Backbone interact. energy: -0.000 local terms energy: -34.744083 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -3.568 tors. eta vs tors. theta energy: -6.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -55.658980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.658980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.658980 (E_RNA) where: Base-Base interactions energy: -21.760 where: short stacking energy: -21.760 Base-Backbone interact. energy: -0.000 local terms energy: -33.898940 where: bonds (distance) C4'-P energy: -6.454 bonds (distance) P-C4' energy: -7.292 flat angles C4'-P-C4' energy: -7.914 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -6.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -69.018922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.018922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.018922 (E_RNA) where: Base-Base interactions energy: -29.202 where: short stacking energy: -23.598 Base-Backbone interact. energy: -0.001 local terms energy: -39.816278 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.419 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -8.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -57.153389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.153389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.153389 (E_RNA) where: Base-Base interactions energy: -27.899 where: short stacking energy: -16.796 Base-Backbone interact. energy: -0.099 local terms energy: -29.154886 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.442 flat angles P-C4'-P energy: -5.625 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: 6, replica: 8 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -48.643971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.643971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.643971 (E_RNA) where: Base-Base interactions energy: -14.200 where: short stacking energy: -14.200 Base-Backbone interact. energy: -0.065 local terms energy: -34.378616 where: bonds (distance) C4'-P energy: -8.495 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.618 flat angles P-C4'-P energy: -5.676 tors. eta vs tors. theta energy: -2.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -46.048170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.048170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.048170 (E_RNA) where: Base-Base interactions energy: -17.597 where: short stacking energy: -15.425 Base-Backbone interact. energy: -0.192 local terms energy: -28.258827 where: bonds (distance) C4'-P energy: -4.416 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -9.288 flat angles P-C4'-P energy: -3.810 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -51.162834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.162834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.162834 (E_RNA) where: Base-Base interactions energy: -20.178 where: short stacking energy: -19.338 Base-Backbone interact. energy: -0.002 local terms energy: -30.982992 where: bonds (distance) C4'-P energy: -3.158 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.732 flat angles P-C4'-P energy: -5.642 tors. eta vs tors. theta energy: -7.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -45.747096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.747096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.747096 (E_RNA) where: Base-Base interactions energy: -15.900 where: short stacking energy: -15.900 Base-Backbone interact. energy: -0.000 local terms energy: -29.847020 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.271 flat angles C4'-P-C4' energy: -6.352 flat angles P-C4'-P energy: -4.343 tors. eta vs tors. theta energy: -3.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -45.144832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.144832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.144832 (E_RNA) where: Base-Base interactions energy: -19.138 where: short stacking energy: -19.138 Base-Backbone interact. energy: -0.003 local terms energy: -26.003627 where: bonds (distance) C4'-P energy: -3.717 bonds (distance) P-C4' energy: -8.237 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -63.910648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.910648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.910648 (E_RNA) where: Base-Base interactions energy: -31.158 where: short stacking energy: -17.098 Base-Backbone interact. energy: -0.085 local terms energy: -32.667736 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.177 flat angles P-C4'-P energy: -5.787 tors. eta vs tors. theta energy: -4.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -61.934252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.934252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.934252 (E_RNA) where: Base-Base interactions energy: -26.056 where: short stacking energy: -25.420 Base-Backbone interact. energy: -0.001 local terms energy: -35.876918 where: bonds (distance) C4'-P energy: -5.658 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -8.850 flat angles P-C4'-P energy: -5.582 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -58.768831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.768831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.768831 (E_RNA) where: Base-Base interactions energy: -33.550 where: short stacking energy: -20.666 Base-Backbone interact. energy: -0.008 local terms energy: -25.211197 where: bonds (distance) C4'-P energy: -5.174 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -5.392 flat angles P-C4'-P energy: -4.593 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: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -54.261208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.261208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.261208 (E_RNA) where: Base-Base interactions energy: -21.782 where: short stacking energy: -21.782 Base-Backbone interact. energy: -0.105 local terms energy: -32.373544 where: bonds (distance) C4'-P energy: -4.984 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -4.860 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: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -48.141603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.141603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.141603 (E_RNA) where: Base-Base interactions energy: -17.673 where: short stacking energy: -17.673 Base-Backbone interact. energy: -0.018 local terms energy: -30.450495 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -6.370 flat angles P-C4'-P energy: -6.960 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: 6, replica: 10 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -50.167783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.167783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.167783 (E_RNA) where: Base-Base interactions energy: -27.307 where: short stacking energy: -12.360 Base-Backbone interact. energy: 0.697 local terms energy: -23.558599 where: bonds (distance) C4'-P energy: -3.444 bonds (distance) P-C4' energy: -6.641 flat angles C4'-P-C4' energy: -8.571 flat angles P-C4'-P energy: -4.926 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: 7, replica: 8 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -42.018127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.018127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.018127 (E_RNA) where: Base-Base interactions energy: -17.067 where: short stacking energy: -17.067 Base-Backbone interact. energy: -0.113 local terms energy: -24.838347 where: bonds (distance) C4'-P energy: -5.287 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.905 flat angles P-C4'-P energy: -5.591 tors. eta vs tors. theta energy: 0.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -44.925658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.925658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.925658 (E_RNA) where: Base-Base interactions energy: -14.818 where: short stacking energy: -14.006 Base-Backbone interact. energy: -0.008 local terms energy: -30.099351 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -4.892 flat angles P-C4'-P energy: -4.205 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: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -43.465378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.465378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.465378 (E_RNA) where: Base-Base interactions energy: -22.640 where: short stacking energy: -9.427 Base-Backbone interact. energy: -0.444 local terms energy: -20.381441 where: bonds (distance) C4'-P energy: -1.353 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -4.603 flat angles P-C4'-P energy: -3.186 tors. eta vs tors. theta energy: -1.690 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: 9 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -43.790256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.790256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.790256 (E_RNA) where: Base-Base interactions energy: -17.115 where: short stacking energy: -17.115 Base-Backbone interact. energy: -0.081 local terms energy: -26.594931 where: bonds (distance) C4'-P energy: -6.197 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -3.725 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -73.323494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.323494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.323494 (E_RNA) where: Base-Base interactions energy: -38.996 where: short stacking energy: -30.828 Base-Backbone interact. energy: -0.000 local terms energy: -34.327280 where: bonds (distance) C4'-P energy: -6.937 bonds (distance) P-C4' energy: -5.631 flat angles C4'-P-C4' energy: -6.925 flat angles P-C4'-P energy: -6.270 tors. eta vs tors. theta energy: -8.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -54.980970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.980970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.980970 (E_RNA) where: Base-Base interactions energy: -18.981 where: short stacking energy: -16.971 Base-Backbone interact. energy: -0.000 local terms energy: -35.999734 where: bonds (distance) C4'-P energy: -8.242 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -8.092 flat angles P-C4'-P energy: -6.571 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: 3, replica: 3 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -52.565188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.565188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.565188 (E_RNA) where: Base-Base interactions energy: -23.367 where: short stacking energy: -23.367 Base-Backbone interact. energy: -0.080 local terms energy: -29.118877 where: bonds (distance) C4'-P energy: -6.822 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.811 flat angles P-C4'-P energy: -4.475 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: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -55.164416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.164416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.164416 (E_RNA) where: Base-Base interactions energy: -21.522 where: short stacking energy: -21.522 Base-Backbone interact. energy: 0.110 local terms energy: -33.752364 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -7.658 flat angles P-C4'-P energy: -5.064 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: 5, replica: 10 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -53.985707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.985707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.985707 (E_RNA) where: Base-Base interactions energy: -22.960 where: short stacking energy: -15.256 Base-Backbone interact. energy: -0.000 local terms energy: -31.025656 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -3.886 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: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -48.018641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.018641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.018641 (E_RNA) where: Base-Base interactions energy: -19.869 where: short stacking energy: -19.869 Base-Backbone interact. energy: 1.811 local terms energy: -29.960035 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -7.104 flat angles C4'-P-C4' energy: -6.804 flat angles P-C4'-P energy: -5.411 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: 7, replica: 5 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -43.821945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.821945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.821945 (E_RNA) where: Base-Base interactions energy: -15.124 where: short stacking energy: -15.124 Base-Backbone interact. energy: 0.485 local terms energy: -29.183380 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -5.248 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -3.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -43.535653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.535653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.535653 (E_RNA) where: Base-Base interactions energy: -15.203 where: short stacking energy: -11.579 Base-Backbone interact. energy: -0.163 local terms energy: -28.169321 where: bonds (distance) C4'-P energy: -7.890 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.125 flat angles P-C4'-P energy: -5.494 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: 9, replica: 9 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -40.641986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.641986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.641986 (E_RNA) where: Base-Base interactions energy: -13.738 where: short stacking energy: -13.647 Base-Backbone interact. energy: -0.000 local terms energy: -26.903968 where: bonds (distance) C4'-P energy: -7.323 bonds (distance) P-C4' energy: -7.889 flat angles C4'-P-C4' energy: -6.014 flat angles P-C4'-P energy: -3.383 tors. eta vs tors. theta energy: -2.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -41.290567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.290567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.290567 (E_RNA) where: Base-Base interactions energy: -24.851 where: short stacking energy: -15.782 Base-Backbone interact. energy: -0.163 local terms energy: -16.276697 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -2.718 flat angles P-C4'-P energy: 0.714 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: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -69.469170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.469170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.469170 (E_RNA) where: Base-Base interactions energy: -29.237 where: short stacking energy: -29.237 Base-Backbone interact. energy: -0.000 local terms energy: -40.232235 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -9.140 flat angles P-C4'-P energy: -6.188 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: 3 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -74.719984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.719984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.719984 (E_RNA) where: Base-Base interactions energy: -40.755 where: short stacking energy: -23.794 Base-Backbone interact. energy: -0.354 local terms energy: -33.611058 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: -8.545 flat angles P-C4'-P energy: -6.036 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: 3, replica: 4 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -65.667172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.667172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.667172 (E_RNA) where: Base-Base interactions energy: -33.437 where: short stacking energy: -23.738 Base-Backbone interact. energy: 0.116 local terms energy: -32.345412 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.097 flat angles C4'-P-C4' energy: -7.780 flat angles P-C4'-P energy: -5.128 tors. eta vs tors. theta energy: -3.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -55.879434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.879434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.879434 (E_RNA) where: Base-Base interactions energy: -20.743 where: short stacking energy: -20.743 Base-Backbone interact. energy: 0.271 local terms energy: -35.407832 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -5.352 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: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -53.831603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.831603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.831603 (E_RNA) where: Base-Base interactions energy: -22.609 where: short stacking energy: -19.167 Base-Backbone interact. energy: -0.001 local terms energy: -31.222054 where: bonds (distance) C4'-P energy: -5.047 bonds (distance) P-C4' energy: -8.333 flat angles C4'-P-C4' energy: -8.050 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -3.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -44.919535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.919535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.919535 (E_RNA) where: Base-Base interactions energy: -10.613 where: short stacking energy: -10.613 Base-Backbone interact. energy: -0.169 local terms energy: -34.137607 where: bonds (distance) C4'-P energy: -7.720 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -6.941 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: 7, replica: 5 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -49.439684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.439684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.439684 (E_RNA) where: Base-Base interactions energy: -20.840 where: short stacking energy: -20.840 Base-Backbone interact. energy: -0.000 local terms energy: -28.599360 where: bonds (distance) C4'-P energy: -6.594 bonds (distance) P-C4' energy: -6.172 flat angles C4'-P-C4' energy: -5.650 flat angles P-C4'-P energy: -2.385 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -45.902285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.902285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.902285 (E_RNA) where: Base-Base interactions energy: -17.524 where: short stacking energy: -15.964 Base-Backbone interact. energy: -0.006 local terms energy: -28.371703 where: bonds (distance) C4'-P energy: -5.945 bonds (distance) P-C4' energy: -7.528 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -5.178 tors. eta vs tors. theta energy: -2.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -54.077679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.077679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.077679 (E_RNA) where: Base-Base interactions energy: -25.825 where: short stacking energy: -17.018 Base-Backbone interact. energy: -0.135 local terms energy: -28.117703 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -5.700 flat angles P-C4'-P energy: -3.038 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: 10, replica: 2 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -40.494894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.494894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.494894 (E_RNA) where: Base-Base interactions energy: -13.425 where: short stacking energy: -13.425 Base-Backbone interact. energy: 1.074 local terms energy: -28.143694 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -5.133 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: 1, replica: 3 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -77.714331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.714331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.714331 (E_RNA) where: Base-Base interactions energy: -42.577 where: short stacking energy: -28.299 Base-Backbone interact. energy: -0.099 local terms energy: -35.038663 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.577 flat angles P-C4'-P energy: -6.289 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: 2, replica: 6 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -72.488256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.488256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.488256 (E_RNA) where: Base-Base interactions energy: -37.646 where: short stacking energy: -32.366 Base-Backbone interact. energy: -0.002 local terms energy: -34.839983 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.758 flat angles P-C4'-P energy: -5.222 tors. eta vs tors. theta energy: -7.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -67.925044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.925044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.925044 (E_RNA) where: Base-Base interactions energy: -39.588 where: short stacking energy: -24.453 Base-Backbone interact. energy: -0.003 local terms energy: -28.333235 where: bonds (distance) C4'-P energy: -4.091 bonds (distance) P-C4' energy: -8.150 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -5.800 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: 4, replica: 4 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -59.055568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.055568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.055568 (E_RNA) where: Base-Base interactions energy: -26.761 where: short stacking energy: -26.761 Base-Backbone interact. energy: -0.004 local terms energy: -32.291457 where: bonds (distance) C4'-P energy: -7.054 bonds (distance) P-C4' energy: -5.279 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.760 tors. eta vs tors. theta energy: -6.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -59.037506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.037506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.037506 (E_RNA) where: Base-Base interactions energy: -23.214 where: short stacking energy: -23.214 Base-Backbone interact. energy: -0.002 local terms energy: -35.821533 where: bonds (distance) C4'-P energy: -7.638 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -5.492 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: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -49.273897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.273897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.273897 (E_RNA) where: Base-Base interactions energy: -23.258 where: short stacking energy: -23.258 Base-Backbone interact. energy: -0.001 local terms energy: -26.015556 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -6.280 flat angles C4'-P-C4' energy: -4.802 flat angles P-C4'-P energy: -3.052 tors. eta vs tors. theta energy: -3.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -49.205060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.205060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.205060 (E_RNA) where: Base-Base interactions energy: -21.769 where: short stacking energy: -20.816 Base-Backbone interact. energy: -0.002 local terms energy: -27.433348 where: bonds (distance) C4'-P energy: -6.458 bonds (distance) P-C4' energy: -6.011 flat angles C4'-P-C4' energy: -6.302 flat angles P-C4'-P energy: -3.596 tors. eta vs tors. theta energy: -5.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -43.665352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.665352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.665352 (E_RNA) where: Base-Base interactions energy: -17.257 where: short stacking energy: -17.257 Base-Backbone interact. energy: -0.483 local terms energy: -25.925061 where: bonds (distance) C4'-P energy: -6.674 bonds (distance) P-C4' energy: -5.762 flat angles C4'-P-C4' energy: -3.804 flat angles P-C4'-P energy: -4.435 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -45.559220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.559220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.559220 (E_RNA) where: Base-Base interactions energy: -20.582 where: short stacking energy: -19.405 Base-Backbone interact. energy: -0.005 local terms energy: -24.972617 where: bonds (distance) C4'-P energy: -6.246 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -4.017 flat angles P-C4'-P energy: -2.475 tors. eta vs tors. theta energy: -4.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -42.892961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.892961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.892961 (E_RNA) where: Base-Base interactions energy: -16.113 where: short stacking energy: -16.113 Base-Backbone interact. energy: 1.203 local terms energy: -27.983012 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -7.910 flat angles C4'-P-C4' energy: -3.881 flat angles P-C4'-P energy: -2.205 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: 1, replica: 3 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -71.403251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.403251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.403251 (E_RNA) where: Base-Base interactions energy: -35.378 where: short stacking energy: -23.264 Base-Backbone interact. energy: -0.013 local terms energy: -36.013027 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -3.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -69.886083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.886083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.886083 (E_RNA) where: Base-Base interactions energy: -33.084 where: short stacking energy: -20.908 Base-Backbone interact. energy: -0.000 local terms energy: -36.801261 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.391 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -61.475378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.475378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.475378 (E_RNA) where: Base-Base interactions energy: -30.092 where: short stacking energy: -24.552 Base-Backbone interact. energy: -0.091 local terms energy: -31.293066 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -3.953 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: 4, replica: 4 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -60.386464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.386464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.386464 (E_RNA) where: Base-Base interactions energy: -30.592 where: short stacking energy: -11.844 Base-Backbone interact. energy: -0.040 local terms energy: -29.754781 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.558 flat angles P-C4'-P energy: -4.568 tors. eta vs tors. theta energy: -2.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -49.506781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.506781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.506781 (E_RNA) where: Base-Base interactions energy: -20.124 where: short stacking energy: -20.124 Base-Backbone interact. energy: -0.001 local terms energy: -29.381203 where: bonds (distance) C4'-P energy: -3.895 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -4.801 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: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -51.211765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.211765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.211765 (E_RNA) where: Base-Base interactions energy: -22.369 where: short stacking energy: -22.369 Base-Backbone interact. energy: -0.000 local terms energy: -28.842291 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.088 flat angles C4'-P-C4' energy: -7.304 flat angles P-C4'-P energy: -1.562 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: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -47.271981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.271981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.271981 (E_RNA) where: Base-Base interactions energy: -26.338 where: short stacking energy: -17.958 Base-Backbone interact. energy: -0.035 local terms energy: -20.898395 where: bonds (distance) C4'-P energy: -5.771 bonds (distance) P-C4' energy: -7.724 flat angles C4'-P-C4' energy: -6.551 flat angles P-C4'-P energy: 0.667 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: 8, replica: 2 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -52.624433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.624433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.624433 (E_RNA) where: Base-Base interactions energy: -24.107 where: short stacking energy: -14.960 Base-Backbone interact. energy: -0.000 local terms energy: -28.517155 where: bonds (distance) C4'-P energy: -4.822 bonds (distance) P-C4' energy: -6.876 flat angles C4'-P-C4' energy: -6.709 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -4.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -47.058502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.058502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.058502 (E_RNA) where: Base-Base interactions energy: -18.495 where: short stacking energy: -18.495 Base-Backbone interact. energy: -0.009 local terms energy: -28.554892 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.700 flat angles P-C4'-P energy: -2.828 tors. eta vs tors. theta energy: -4.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -46.564358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.564358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.564358 (E_RNA) where: Base-Base interactions energy: -15.125 where: short stacking energy: -15.125 Base-Backbone interact. energy: -0.013 local terms energy: -31.426737 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -5.466 flat angles P-C4'-P energy: -5.027 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: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -67.171884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.171884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.171884 (E_RNA) where: Base-Base interactions energy: -32.863 where: short stacking energy: -22.278 Base-Backbone interact. energy: -0.002 local terms energy: -34.306434 where: bonds (distance) C4'-P energy: -7.430 bonds (distance) P-C4' energy: -9.119 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -4.363 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: 3 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -55.963375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.963375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.963375 (E_RNA) where: Base-Base interactions energy: -24.019 where: short stacking energy: -23.123 Base-Backbone interact. energy: -0.078 local terms energy: -31.866580 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -0.737 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: 3, replica: 4 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -60.636303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.636303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.636303 (E_RNA) where: Base-Base interactions energy: -26.802 where: short stacking energy: -26.802 Base-Backbone interact. energy: -0.000 local terms energy: -33.834250 where: bonds (distance) C4'-P energy: -5.274 bonds (distance) P-C4' energy: -6.250 flat angles C4'-P-C4' energy: -5.004 flat angles P-C4'-P energy: -6.587 tors. eta vs tors. theta energy: -10.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -53.221258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.221258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.221258 (E_RNA) where: Base-Base interactions energy: -24.478 where: short stacking energy: -15.793 Base-Backbone interact. energy: -0.047 local terms energy: -28.696547 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.569 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -4.760 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: 5, replica: 9 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -60.413425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.413425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.413425 (E_RNA) where: Base-Base interactions energy: -23.706 where: short stacking energy: -23.706 Base-Backbone interact. energy: -0.001 local terms energy: -36.706315 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -8.447 flat angles P-C4'-P energy: -5.270 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: 6, replica: 7 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -48.875134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.875134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.875134 (E_RNA) where: Base-Base interactions energy: -18.135 where: short stacking energy: -15.151 Base-Backbone interact. energy: 0.162 local terms energy: -30.901444 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.932 flat angles C4'-P-C4' energy: -5.611 flat angles P-C4'-P energy: -6.657 tors. eta vs tors. theta energy: -2.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -47.678302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.678302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.678302 (E_RNA) where: Base-Base interactions energy: -17.693 where: short stacking energy: -16.228 Base-Backbone interact. energy: -0.016 local terms energy: -29.969799 where: bonds (distance) C4'-P energy: -8.032 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.718 flat angles P-C4'-P energy: -2.920 tors. eta vs tors. theta energy: -3.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -44.461807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.461807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.461807 (E_RNA) where: Base-Base interactions energy: -15.762 where: short stacking energy: -12.723 Base-Backbone interact. energy: -0.058 local terms energy: -28.641500 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -8.643 flat angles C4'-P-C4' energy: -5.377 flat angles P-C4'-P energy: -4.062 tors. eta vs tors. theta energy: -3.981 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: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -45.075884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.075884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.075884 (E_RNA) where: Base-Base interactions energy: -16.538 where: short stacking energy: -16.538 Base-Backbone interact. energy: -0.002 local terms energy: -28.536450 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -7.001 flat angles C4'-P-C4' energy: -6.727 flat angles P-C4'-P energy: -3.521 tors. eta vs tors. theta energy: -4.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -36.913694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.913694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.913694 (E_RNA) where: Base-Base interactions energy: -10.716 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.086 local terms energy: -26.111592 where: bonds (distance) C4'-P energy: -5.671 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.547 flat angles P-C4'-P energy: -3.870 tors. eta vs tors. theta energy: -1.675 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: 413 Temperature: 0.900000 Total energy: -70.559957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.559957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.559957 (E_RNA) where: Base-Base interactions energy: -35.016 where: short stacking energy: -26.318 Base-Backbone interact. energy: -0.004 local terms energy: -35.539412 where: bonds (distance) C4'-P energy: -7.579 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -7.934 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -6.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -62.653332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.653332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.653332 (E_RNA) where: Base-Base interactions energy: -27.863 where: short stacking energy: -27.863 Base-Backbone interact. energy: -0.021 local terms energy: -34.769990 where: bonds (distance) C4'-P energy: -6.575 bonds (distance) P-C4' energy: -6.844 flat angles C4'-P-C4' energy: -7.163 flat angles P-C4'-P energy: -5.307 tors. eta vs tors. theta energy: -8.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -53.713346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.713346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.713346 (E_RNA) where: Base-Base interactions energy: -20.106 where: short stacking energy: -12.774 Base-Backbone interact. energy: -0.001 local terms energy: -33.606299 where: bonds (distance) C4'-P energy: -7.444 bonds (distance) P-C4' energy: -6.606 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -5.778 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: 4, replica: 9 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -65.189928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.189928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.189928 (E_RNA) where: Base-Base interactions energy: -31.785 where: short stacking energy: -31.785 Base-Backbone interact. energy: -0.000 local terms energy: -33.405331 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -8.481 flat angles P-C4'-P energy: -2.666 tors. eta vs tors. theta energy: -5.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -54.893379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.893379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.893379 (E_RNA) where: Base-Base interactions energy: -22.899 where: short stacking energy: -15.502 Base-Backbone interact. energy: -0.100 local terms energy: -31.893572 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -7.955 flat angles P-C4'-P energy: -3.331 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: 413 Temperature: 1.150000 Total energy: -55.191917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.191917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.191917 (E_RNA) where: Base-Base interactions energy: -21.320 where: short stacking energy: -21.320 Base-Backbone interact. energy: -0.006 local terms energy: -33.865755 where: bonds (distance) C4'-P energy: -6.830 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.134 flat angles P-C4'-P energy: -5.975 tors. eta vs tors. theta energy: -4.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -51.475676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.475676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.475676 (E_RNA) where: Base-Base interactions energy: -21.863 where: short stacking energy: -20.200 Base-Backbone interact. energy: -0.095 local terms energy: -29.518003 where: bonds (distance) C4'-P energy: -8.051 bonds (distance) P-C4' energy: -6.337 flat angles C4'-P-C4' energy: -8.170 flat angles P-C4'-P energy: -3.774 tors. eta vs tors. theta energy: -3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -43.661292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.661292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.661292 (E_RNA) where: Base-Base interactions energy: -14.839 where: short stacking energy: -14.839 Base-Backbone interact. energy: -0.093 local terms energy: -28.729203 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -1.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -43.695689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.695689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.695689 (E_RNA) where: Base-Base interactions energy: -17.833 where: short stacking energy: -14.073 Base-Backbone interact. energy: -0.149 local terms energy: -25.713658 where: bonds (distance) C4'-P energy: -4.490 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.905 flat angles P-C4'-P energy: -5.612 tors. eta vs tors. theta energy: -0.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -46.713858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.713858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.713858 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -12.682 Base-Backbone interact. energy: -0.000 local terms energy: -30.491307 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -7.047 flat angles C4'-P-C4' energy: -1.254 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -67.963861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.963861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.963861 (E_RNA) where: Base-Base interactions energy: -28.688 where: short stacking energy: -28.688 Base-Backbone interact. energy: -0.000 local terms energy: -39.275537 where: bonds (distance) C4'-P energy: -7.194 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -8.180 flat angles P-C4'-P energy: -6.838 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: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -56.936735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.936735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.936735 (E_RNA) where: Base-Base interactions energy: -23.272 where: short stacking energy: -23.272 Base-Backbone interact. energy: 0.457 local terms energy: -34.121604 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.766 flat angles P-C4'-P energy: -4.379 tors. eta vs tors. theta energy: -5.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -60.223793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.223793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.223793 (E_RNA) where: Base-Base interactions energy: -22.853 where: short stacking energy: -22.853 Base-Backbone interact. energy: 0.066 local terms energy: -37.436688 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -6.741 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -6.928 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: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -53.326203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.326203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.326203 (E_RNA) where: Base-Base interactions energy: -19.293 where: short stacking energy: -19.293 Base-Backbone interact. energy: -0.069 local terms energy: -33.964164 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -4.962 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -50.365517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.365517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.365517 (E_RNA) where: Base-Base interactions energy: -24.086 where: short stacking energy: -19.001 Base-Backbone interact. energy: -0.011 local terms energy: -26.269365 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -3.557 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -2.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -49.975184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.975184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.975184 (E_RNA) where: Base-Base interactions energy: -21.862 where: short stacking energy: -15.467 Base-Backbone interact. energy: -0.016 local terms energy: -28.096976 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -8.044 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -3.415 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -57.484651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.484651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.484651 (E_RNA) where: Base-Base interactions energy: -20.975 where: short stacking energy: -17.809 Base-Backbone interact. energy: -0.080 local terms energy: -36.429108 where: bonds (distance) C4'-P energy: -8.084 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.491 flat angles P-C4'-P energy: -5.734 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: 8, replica: 7 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -50.152047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.152047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.152047 (E_RNA) where: Base-Base interactions energy: -20.026 where: short stacking energy: -20.026 Base-Backbone interact. energy: -0.000 local terms energy: -30.125529 where: bonds (distance) C4'-P energy: -4.951 bonds (distance) P-C4' energy: -7.692 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -6.378 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: 9, replica: 5 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -41.597489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.597489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.597489 (E_RNA) where: Base-Base interactions energy: -17.532 where: short stacking energy: -13.210 Base-Backbone interact. energy: -0.007 local terms energy: -24.058767 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -5.359 flat angles P-C4'-P energy: -3.815 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: 1 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -41.930021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.930021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.930021 (E_RNA) where: Base-Base interactions energy: -15.427 where: short stacking energy: -13.337 Base-Backbone interact. energy: -0.080 local terms energy: -26.423602 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -4.809 flat angles P-C4'-P energy: -4.835 tors. eta vs tors. theta energy: -1.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -73.350169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.350169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.350169 (E_RNA) where: Base-Base interactions energy: -34.252 where: short stacking energy: -34.252 Base-Backbone interact. energy: -0.000 local terms energy: -39.097666 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.984 flat angles P-C4'-P energy: -4.432 tors. eta vs tors. theta energy: -9.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -56.916988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.916988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.916988 (E_RNA) where: Base-Base interactions energy: -22.881 where: short stacking energy: -22.881 Base-Backbone interact. energy: -0.066 local terms energy: -33.969937 where: bonds (distance) C4'-P energy: -5.121 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.675 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -53.910331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.910331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.910331 (E_RNA) where: Base-Base interactions energy: -23.316 where: short stacking energy: -23.316 Base-Backbone interact. energy: 2.346 local terms energy: -32.940971 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.339 flat angles P-C4'-P energy: -6.567 tors. eta vs tors. theta energy: -1.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -47.364930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.364930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.364930 (E_RNA) where: Base-Base interactions energy: -18.575 where: short stacking energy: -18.575 Base-Backbone interact. energy: -0.114 local terms energy: -28.676596 where: bonds (distance) C4'-P energy: -7.576 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -3.071 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: 5, replica: 2 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -57.749389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.749389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.749389 (E_RNA) where: Base-Base interactions energy: -28.335 where: short stacking energy: -18.456 Base-Backbone interact. energy: -0.050 local terms energy: -29.364599 where: bonds (distance) C4'-P energy: -7.960 bonds (distance) P-C4' energy: -7.880 flat angles C4'-P-C4' energy: -6.638 flat angles P-C4'-P energy: -4.568 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: 6, replica: 8 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -52.423460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.423460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.423460 (E_RNA) where: Base-Base interactions energy: -22.686 where: short stacking energy: -16.605 Base-Backbone interact. energy: -0.015 local terms energy: -29.722643 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -8.762 flat angles P-C4'-P energy: -6.310 tors. eta vs tors. theta energy: 0.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -45.301650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.301650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.301650 (E_RNA) where: Base-Base interactions energy: -18.366 where: short stacking energy: -17.444 Base-Backbone interact. energy: -0.099 local terms energy: -26.836283 where: bonds (distance) C4'-P energy: -8.333 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: 0.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -45.732879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.732879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.732879 (E_RNA) where: Base-Base interactions energy: -20.000 where: short stacking energy: -19.075 Base-Backbone interact. energy: -0.001 local terms energy: -25.732032 where: bonds (distance) C4'-P energy: -5.838 bonds (distance) P-C4' energy: -5.829 flat angles C4'-P-C4' energy: -4.685 flat angles P-C4'-P energy: -4.146 tors. eta vs tors. theta energy: -5.235 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: 415 Temperature: 1.300000 Total energy: -44.146964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.146964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.146964 (E_RNA) where: Base-Base interactions energy: -13.716 where: short stacking energy: -13.716 Base-Backbone interact. energy: -0.002 local terms energy: -30.428952 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -8.774 flat angles C4'-P-C4' energy: -7.188 flat angles P-C4'-P energy: -5.451 tors. eta vs tors. theta energy: -2.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -46.613859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.613859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.613859 (E_RNA) where: Base-Base interactions energy: -17.580 where: short stacking energy: -17.580 Base-Backbone interact. energy: -0.014 local terms energy: -29.019386 where: bonds (distance) C4'-P energy: -5.829 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -5.006 flat angles P-C4'-P energy: -2.579 tors. eta vs tors. theta energy: -7.398 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: 4 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -74.337329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.337329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.337329 (E_RNA) where: Base-Base interactions energy: -41.582 where: short stacking energy: -26.168 Base-Backbone interact. energy: -0.002 local terms energy: -32.752811 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -3.894 flat angles P-C4'-P energy: -5.493 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: 2, replica: 9 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -57.076790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.076790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.076790 (E_RNA) where: Base-Base interactions energy: -27.594 where: short stacking energy: -27.594 Base-Backbone interact. energy: -0.000 local terms energy: -29.482769 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -6.183 flat angles P-C4'-P energy: -4.208 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: 3, replica: 6 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -63.756886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.756886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.756886 (E_RNA) where: Base-Base interactions energy: -26.293 where: short stacking energy: -16.994 Base-Backbone interact. energy: -0.009 local terms energy: -37.454952 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -6.625 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: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -48.062129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.062129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.062129 (E_RNA) where: Base-Base interactions energy: -18.670 where: short stacking energy: -17.434 Base-Backbone interact. energy: -0.100 local terms energy: -29.292167 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -4.352 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -45.952516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.952516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.952516 (E_RNA) where: Base-Base interactions energy: -15.347 where: short stacking energy: -13.923 Base-Backbone interact. energy: -0.104 local terms energy: -30.500812 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -8.865 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -4.109 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: 6, replica: 2 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -48.261767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.261767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.261767 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -23.073 Base-Backbone interact. energy: -0.002 local terms energy: -25.186449 where: bonds (distance) C4'-P energy: -7.082 bonds (distance) P-C4' energy: -5.448 flat angles C4'-P-C4' energy: -6.049 flat angles P-C4'-P energy: -4.697 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -45.680082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.680082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.680082 (E_RNA) where: Base-Base interactions energy: -14.722 where: short stacking energy: -14.722 Base-Backbone interact. energy: -0.000 local terms energy: -30.958324 where: bonds (distance) C4'-P energy: -5.509 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -6.582 flat angles P-C4'-P energy: -4.703 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: 8, replica: 10 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -49.327648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.327648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.327648 (E_RNA) where: Base-Base interactions energy: -24.165 where: short stacking energy: -23.330 Base-Backbone interact. energy: -0.004 local terms energy: -25.158768 where: bonds (distance) C4'-P energy: -6.740 bonds (distance) P-C4' energy: -7.103 flat angles C4'-P-C4' energy: -3.104 flat angles P-C4'-P energy: -4.656 tors. eta vs tors. theta energy: -3.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -48.114117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.114117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.114117 (E_RNA) where: Base-Base interactions energy: -20.933 where: short stacking energy: -14.064 Base-Backbone interact. energy: -0.000 local terms energy: -27.181220 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -6.968 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -2.543 tors. eta vs tors. theta energy: -3.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -43.043759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.043759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.043759 (E_RNA) where: Base-Base interactions energy: -14.614 where: short stacking energy: -14.614 Base-Backbone interact. energy: -0.019 local terms energy: -28.411021 where: bonds (distance) C4'-P energy: -8.433 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -4.596 tors. eta vs tors. theta energy: -1.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -69.132211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.132211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.132211 (E_RNA) where: Base-Base interactions energy: -35.762 where: short stacking energy: -29.358 Base-Backbone interact. energy: -0.001 local terms energy: -33.369699 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -4.700 flat angles C4'-P-C4' energy: -7.783 flat angles P-C4'-P energy: -4.270 tors. eta vs tors. theta energy: -8.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -60.725547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.725547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.725547 (E_RNA) where: Base-Base interactions energy: -29.018 where: short stacking energy: -29.018 Base-Backbone interact. energy: -0.100 local terms energy: -31.607929 where: bonds (distance) C4'-P energy: -4.856 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.440 flat angles P-C4'-P energy: -5.565 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: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -57.390863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.390863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.390863 (E_RNA) where: Base-Base interactions energy: -25.433 where: short stacking energy: -25.433 Base-Backbone interact. energy: -0.000 local terms energy: -31.957866 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -6.452 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -8.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -57.484748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.484748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.484748 (E_RNA) where: Base-Base interactions energy: -25.743 where: short stacking energy: -25.743 Base-Backbone interact. energy: -0.000 local terms energy: -31.741711 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -6.472 flat angles C4'-P-C4' energy: -6.158 flat angles P-C4'-P energy: -5.036 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: 3 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -60.668903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.668903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.668903 (E_RNA) where: Base-Base interactions energy: -27.337 where: short stacking energy: -27.337 Base-Backbone interact. energy: 0.933 local terms energy: -34.264583 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.622 flat angles C4'-P-C4' energy: -6.242 flat angles P-C4'-P energy: -6.154 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -59.650143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.650143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.650143 (E_RNA) where: Base-Base interactions energy: -31.946 where: short stacking energy: -15.833 Base-Backbone interact. energy: -1.131 local terms energy: -26.572576 where: bonds (distance) C4'-P energy: -6.300 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.336 flat angles P-C4'-P energy: -3.391 tors. eta vs tors. theta energy: -2.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -45.763069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.763069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.763069 (E_RNA) where: Base-Base interactions energy: -20.444 where: short stacking energy: -20.444 Base-Backbone interact. energy: -0.012 local terms energy: -25.307070 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.858 flat angles C4'-P-C4' energy: -5.073 flat angles P-C4'-P energy: -4.177 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: 7 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -44.693407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.693407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.693407 (E_RNA) where: Base-Base interactions energy: -11.543 where: short stacking energy: -11.543 Base-Backbone interact. energy: -0.001 local terms energy: -33.149501 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.415 flat angles P-C4'-P energy: -4.198 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: 9, replica: 10 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -46.877334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.877334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.877334 (E_RNA) where: Base-Base interactions energy: -15.293 where: short stacking energy: -15.293 Base-Backbone interact. energy: -0.004 local terms energy: -31.579823 where: bonds (distance) C4'-P energy: -4.649 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -8.191 flat angles P-C4'-P energy: -6.637 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: 10, replica: 1 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -37.461074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.461074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.461074 (E_RNA) where: Base-Base interactions energy: -15.814 where: short stacking energy: -15.782 Base-Backbone interact. energy: -0.029 local terms energy: -21.618150 where: bonds (distance) C4'-P energy: -6.322 bonds (distance) P-C4' energy: -5.840 flat angles C4'-P-C4' energy: -4.923 flat angles P-C4'-P energy: -1.260 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: 1, replica: 4 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -75.832645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.832645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.832645 (E_RNA) where: Base-Base interactions energy: -39.771 where: short stacking energy: -32.510 Base-Backbone interact. energy: 0.116 local terms energy: -36.177561 where: bonds (distance) C4'-P energy: -7.124 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -3.248 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: 2, replica: 6 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -53.428894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.428894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.428894 (E_RNA) where: Base-Base interactions energy: -19.925 where: short stacking energy: -19.925 Base-Backbone interact. energy: -0.059 local terms energy: -33.444402 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -7.908 flat angles P-C4'-P energy: -5.535 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: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -58.677891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.677891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.677891 (E_RNA) where: Base-Base interactions energy: -24.072 where: short stacking energy: -24.072 Base-Backbone interact. energy: -0.001 local terms energy: -34.604151 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -7.877 flat angles C4'-P-C4' energy: -7.944 flat angles P-C4'-P energy: -6.497 tors. eta vs tors. theta energy: -4.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -57.271838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.271838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.271838 (E_RNA) where: Base-Base interactions energy: -21.963 where: short stacking energy: -21.963 Base-Backbone interact. energy: -0.031 local terms energy: -35.277815 where: bonds (distance) C4'-P energy: -7.447 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.012 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -61.136632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.136632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.136632 (E_RNA) where: Base-Base interactions energy: -28.641 where: short stacking energy: -18.551 Base-Backbone interact. energy: -0.074 local terms energy: -32.421675 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.037 flat angles P-C4'-P energy: -5.725 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: 3 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -52.351236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.351236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.351236 (E_RNA) where: Base-Base interactions energy: -22.939 where: short stacking energy: -22.169 Base-Backbone interact. energy: -0.022 local terms energy: -29.390829 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.085 flat angles C4'-P-C4' energy: -6.180 flat angles P-C4'-P energy: -3.263 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -55.727863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.727863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.727863 (E_RNA) where: Base-Base interactions energy: -23.989 where: short stacking energy: -23.989 Base-Backbone interact. energy: -0.000 local terms energy: -31.738583 where: bonds (distance) C4'-P energy: -6.499 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.073 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: 8, replica: 2 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -44.843286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.843286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.843286 (E_RNA) where: Base-Base interactions energy: -12.986 where: short stacking energy: -12.986 Base-Backbone interact. energy: -0.150 local terms energy: -31.707247 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.544 flat angles P-C4'-P energy: -4.705 tors. eta vs tors. theta energy: -2.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -38.632891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.632891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.632891 (E_RNA) where: Base-Base interactions energy: -11.143 where: short stacking energy: -11.943 Base-Backbone interact. energy: -0.106 local terms energy: -27.384272 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -7.988 flat angles C4'-P-C4' energy: -6.467 flat angles P-C4'-P energy: -3.964 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: 10, replica: 10 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -44.624121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.624121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.624121 (E_RNA) where: Base-Base interactions energy: -14.137 where: short stacking energy: -14.137 Base-Backbone interact. energy: -0.000 local terms energy: -30.487121 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -6.941 flat angles C4'-P-C4' energy: -3.162 flat angles P-C4'-P energy: -5.278 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -64.426407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.426407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.426407 (E_RNA) where: Base-Base interactions energy: -30.452 where: short stacking energy: -22.707 Base-Backbone interact. energy: 0.619 local terms energy: -34.593516 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -6.400 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: 2, replica: 8 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -50.019889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.019889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.019889 (E_RNA) where: Base-Base interactions energy: -17.419 where: short stacking energy: -17.419 Base-Backbone interact. energy: -0.003 local terms energy: -32.598054 where: bonds (distance) C4'-P energy: -5.096 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -7.857 flat angles P-C4'-P energy: -5.888 tors. eta vs tors. theta energy: -5.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -55.131368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.131368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.131368 (E_RNA) where: Base-Base interactions energy: -20.038 where: short stacking energy: -20.038 Base-Backbone interact. energy: -0.000 local terms energy: -35.093450 where: bonds (distance) C4'-P energy: -5.501 bonds (distance) P-C4' energy: -7.689 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -6.670 tors. eta vs tors. theta energy: -7.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -63.556883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.556883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.556883 (E_RNA) where: Base-Base interactions energy: -26.893 where: short stacking energy: -26.893 Base-Backbone interact. energy: -0.000 local terms energy: -36.663184 where: bonds (distance) C4'-P energy: -6.602 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -5.412 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: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -63.350609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.350609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.350609 (E_RNA) where: Base-Base interactions energy: -30.506 where: short stacking energy: -23.758 Base-Backbone interact. energy: -0.033 local terms energy: -32.811409 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.253 flat angles P-C4'-P energy: -6.088 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: 6, replica: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -55.535549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.535549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.535549 (E_RNA) where: Base-Base interactions energy: -21.554 where: short stacking energy: -21.554 Base-Backbone interact. energy: -0.000 local terms energy: -33.981282 where: bonds (distance) C4'-P energy: -2.740 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -8.603 flat angles P-C4'-P energy: -6.964 tors. eta vs tors. theta energy: -6.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -50.517011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.517011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.517011 (E_RNA) where: Base-Base interactions energy: -18.643 where: short stacking energy: -18.643 Base-Backbone interact. energy: -0.089 local terms energy: -31.784808 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.168 flat angles C4'-P-C4' energy: -7.120 flat angles P-C4'-P energy: -4.222 tors. eta vs tors. theta energy: -5.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -47.622685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.622685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.622685 (E_RNA) where: Base-Base interactions energy: -15.479 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.056 local terms energy: -32.087080 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -7.771 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -6.282 tors. eta vs tors. theta energy: -3.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -50.505383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.505383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.505383 (E_RNA) where: Base-Base interactions energy: -17.192 where: short stacking energy: -17.192 Base-Backbone interact. energy: -0.000 local terms energy: -33.313245 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.137 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -41.491447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.491447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.491447 (E_RNA) where: Base-Base interactions energy: -18.638 where: short stacking energy: -18.638 Base-Backbone interact. energy: -0.123 local terms energy: -22.731169 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -1.788 flat angles P-C4'-P energy: -0.201 tors. eta vs tors. theta energy: -4.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -61.413813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.413813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.413813 (E_RNA) where: Base-Base interactions energy: -25.771 where: short stacking energy: -25.771 Base-Backbone interact. energy: -0.001 local terms energy: -35.641219 where: bonds (distance) C4'-P energy: -5.485 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -5.860 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: 4 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -67.820733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.820733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.820733 (E_RNA) where: Base-Base interactions energy: -31.728 where: short stacking energy: -25.108 Base-Backbone interact. energy: -1.018 local terms energy: -35.075281 where: bonds (distance) C4'-P energy: -6.276 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.964 flat angles P-C4'-P energy: -5.740 tors. eta vs tors. theta energy: -6.983 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: 5 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -52.945046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.945046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.945046 (E_RNA) where: Base-Base interactions energy: -19.927 where: short stacking energy: -19.927 Base-Backbone interact. energy: -0.012 local terms energy: -33.006493 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -6.118 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: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -51.488916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.488916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.488916 (E_RNA) where: Base-Base interactions energy: -18.322 where: short stacking energy: -18.322 Base-Backbone interact. energy: -0.003 local terms energy: -33.164345 where: bonds (distance) C4'-P energy: -7.330 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -8.265 flat angles P-C4'-P energy: -4.479 tors. eta vs tors. theta energy: -3.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -42.613067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.613067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.613067 (E_RNA) where: Base-Base interactions energy: -16.303 where: short stacking energy: -16.287 Base-Backbone interact. energy: -0.153 local terms energy: -26.156887 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -9.292 flat angles C4'-P-C4' energy: -7.901 flat angles P-C4'-P energy: 2.201 tors. eta vs tors. theta energy: -3.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -53.773662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.773662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.773662 (E_RNA) where: Base-Base interactions energy: -21.574 where: short stacking energy: -18.953 Base-Backbone interact. energy: -0.393 local terms energy: -31.807620 where: bonds (distance) C4'-P energy: -6.720 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -8.507 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -3.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -55.181338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.181338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.181338 (E_RNA) where: Base-Base interactions energy: -23.395 where: short stacking energy: -23.395 Base-Backbone interact. energy: -0.000 local terms energy: -31.786167 where: bonds (distance) C4'-P energy: -7.472 bonds (distance) P-C4' energy: -9.041 flat angles C4'-P-C4' energy: -7.615 flat angles P-C4'-P energy: -3.413 tors. eta vs tors. theta energy: -4.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -44.779480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.779480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.779480 (E_RNA) where: Base-Base interactions energy: -14.318 where: short stacking energy: -13.655 Base-Backbone interact. energy: -0.008 local terms energy: -30.453605 where: bonds (distance) C4'-P energy: -6.367 bonds (distance) P-C4' energy: -6.247 flat angles C4'-P-C4' energy: -7.617 flat angles P-C4'-P energy: -5.796 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: 9, replica: 10 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -39.608362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.608362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.608362 (E_RNA) where: Base-Base interactions energy: -11.663 where: short stacking energy: -11.663 Base-Backbone interact. energy: -0.010 local terms energy: -27.935336 where: bonds (distance) C4'-P energy: -6.189 bonds (distance) P-C4' energy: -5.284 flat angles C4'-P-C4' energy: -6.421 flat angles P-C4'-P energy: -4.367 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: 10, replica: 2 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -35.168979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -35.168979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -35.168979 (E_RNA) where: Base-Base interactions energy: -7.792 where: short stacking energy: -7.792 Base-Backbone interact. energy: -0.005 local terms energy: -27.371900 where: bonds (distance) C4'-P energy: -8.093 bonds (distance) P-C4' energy: -8.093 flat angles C4'-P-C4' energy: -5.012 flat angles P-C4'-P energy: -5.038 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: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -71.211375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.211375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.211375 (E_RNA) where: Base-Base interactions energy: -33.398 where: short stacking energy: -33.398 Base-Backbone interact. energy: -0.000 local terms energy: -37.813637 where: bonds (distance) C4'-P energy: -3.435 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -8.214 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -54.357987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.357987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.357987 (E_RNA) where: Base-Base interactions energy: -24.252 where: short stacking energy: -24.252 Base-Backbone interact. energy: -0.001 local terms energy: -30.104816 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -4.770 flat angles P-C4'-P energy: -4.464 tors. eta vs tors. theta energy: -2.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -68.720267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.720267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.720267 (E_RNA) where: Base-Base interactions energy: -34.899 where: short stacking energy: -20.465 Base-Backbone interact. energy: -0.012 local terms energy: -33.808983 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -7.681 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -5.747 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -49.953099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.953099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.953099 (E_RNA) where: Base-Base interactions energy: -17.841 where: short stacking energy: -16.432 Base-Backbone interact. energy: -0.047 local terms energy: -32.065088 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -4.713 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: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -50.282701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.282701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.282701 (E_RNA) where: Base-Base interactions energy: -19.549 where: short stacking energy: -19.508 Base-Backbone interact. energy: -0.927 local terms energy: -29.806816 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -8.068 flat angles P-C4'-P energy: -5.920 tors. eta vs tors. theta energy: -0.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -50.008744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.008744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.008744 (E_RNA) where: Base-Base interactions energy: -19.460 where: short stacking energy: -19.460 Base-Backbone interact. energy: -0.000 local terms energy: -30.548370 where: bonds (distance) C4'-P energy: -4.806 bonds (distance) P-C4' energy: -9.591 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -4.564 tors. eta vs tors. theta energy: -5.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -52.448111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.448111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.448111 (E_RNA) where: Base-Base interactions energy: -25.350 where: short stacking energy: -20.561 Base-Backbone interact. energy: -0.074 local terms energy: -27.023334 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -3.762 flat angles C4'-P-C4' energy: -8.223 flat angles P-C4'-P energy: -3.691 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -52.144913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.144913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.144913 (E_RNA) where: Base-Base interactions energy: -28.037 where: short stacking energy: -24.070 Base-Backbone interact. energy: -0.000 local terms energy: -24.108040 where: bonds (distance) C4'-P energy: -4.297 bonds (distance) P-C4' energy: -6.226 flat angles C4'-P-C4' energy: -4.957 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: -3.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -51.021718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.021718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.021718 (E_RNA) where: Base-Base interactions energy: -26.749 where: short stacking energy: -16.223 Base-Backbone interact. energy: -0.061 local terms energy: -24.212130 where: bonds (distance) C4'-P energy: -5.813 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.639 flat angles P-C4'-P energy: -1.911 tors. eta vs tors. theta energy: 0.784 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: 10, replica: 2 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -45.901585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.901585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.901585 (E_RNA) where: Base-Base interactions energy: -17.465 where: short stacking energy: -17.465 Base-Backbone interact. energy: -0.156 local terms energy: -28.280061 where: bonds (distance) C4'-P energy: -7.940 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -4.251 flat angles P-C4'-P energy: -3.879 tors. eta vs tors. theta energy: -3.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -56.218915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.218915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.218915 (E_RNA) where: Base-Base interactions energy: -20.876 where: short stacking energy: -20.876 Base-Backbone interact. energy: -0.036 local terms energy: -35.306990 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -6.680 flat angles P-C4'-P energy: -7.279 tors. eta vs tors. theta energy: -5.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -67.293000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.293000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.293000 (E_RNA) where: Base-Base interactions energy: -31.792 where: short stacking energy: -31.792 Base-Backbone interact. energy: -0.083 local terms energy: -35.417393 where: bonds (distance) C4'-P energy: -4.426 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.009 flat angles P-C4'-P energy: -5.312 tors. eta vs tors. theta energy: -9.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -60.669397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.669397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.669397 (E_RNA) where: Base-Base interactions energy: -25.850 where: short stacking energy: -25.635 Base-Backbone interact. energy: -0.001 local terms energy: -34.818417 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.957 flat angles C4'-P-C4' energy: -8.873 flat angles P-C4'-P energy: -3.798 tors. eta vs tors. theta energy: -6.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -60.441518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.441518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.441518 (E_RNA) where: Base-Base interactions energy: -34.802 where: short stacking energy: -22.673 Base-Backbone interact. energy: -0.027 local terms energy: -25.612300 where: bonds (distance) C4'-P energy: -2.881 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -5.380 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -3.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -51.760739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.760739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.760739 (E_RNA) where: Base-Base interactions energy: -21.519 where: short stacking energy: -21.519 Base-Backbone interact. energy: -0.006 local terms energy: -30.236494 where: bonds (distance) C4'-P energy: -6.885 bonds (distance) P-C4' energy: -6.505 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -2.256 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: 6, replica: 6 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -55.901915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.901915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.901915 (E_RNA) where: Base-Base interactions energy: -20.555 where: short stacking energy: -20.555 Base-Backbone interact. energy: -0.002 local terms energy: -35.344587 where: bonds (distance) C4'-P energy: -7.915 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -8.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -44.670876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.670876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.670876 (E_RNA) where: Base-Base interactions energy: -16.305 where: short stacking energy: -16.305 Base-Backbone interact. energy: 0.344 local terms energy: -28.709913 where: bonds (distance) C4'-P energy: -7.402 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -4.193 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: 9 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -53.512029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.512029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.512029 (E_RNA) where: Base-Base interactions energy: -20.757 where: short stacking energy: -20.757 Base-Backbone interact. energy: -0.000 local terms energy: -32.754178 where: bonds (distance) C4'-P energy: -5.547 bonds (distance) P-C4' energy: -8.675 flat angles C4'-P-C4' energy: -5.267 flat angles P-C4'-P energy: -6.315 tors. eta vs tors. theta energy: -6.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -50.143177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.143177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.143177 (E_RNA) where: Base-Base interactions energy: -20.511 where: short stacking energy: -18.712 Base-Backbone interact. energy: -0.025 local terms energy: -29.607334 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.583 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -46.976933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.976933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.976933 (E_RNA) where: Base-Base interactions energy: -17.855 where: short stacking energy: -15.120 Base-Backbone interact. energy: -0.087 local terms energy: -29.034589 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.582 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -5.893 tors. eta vs tors. theta energy: -2.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -70.047409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.047409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.047409 (E_RNA) where: Base-Base interactions energy: -36.769 where: short stacking energy: -29.109 Base-Backbone interact. energy: -0.000 local terms energy: -33.278139 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -6.773 flat angles C4'-P-C4' energy: -6.560 flat angles P-C4'-P energy: -5.317 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: 2, replica: 8 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -63.130263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.130263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.130263 (E_RNA) where: Base-Base interactions energy: -28.444 where: short stacking energy: -28.444 Base-Backbone interact. energy: -0.001 local terms energy: -34.684574 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -7.057 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -6.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -52.288782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.288782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.288782 (E_RNA) where: Base-Base interactions energy: -23.490 where: short stacking energy: -13.719 Base-Backbone interact. energy: -0.025 local terms energy: -28.773995 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -6.883 flat angles P-C4'-P energy: -3.478 tors. eta vs tors. theta energy: -0.165 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: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -51.255135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.255135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.255135 (E_RNA) where: Base-Base interactions energy: -18.692 where: short stacking energy: -18.692 Base-Backbone interact. energy: -0.003 local terms energy: -32.560034 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -3.949 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: 5, replica: 4 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -58.812660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.812660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.812660 (E_RNA) where: Base-Base interactions energy: -25.567 where: short stacking energy: -25.567 Base-Backbone interact. energy: -0.000 local terms energy: -33.245565 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -4.556 flat angles C4'-P-C4' energy: -9.147 flat angles P-C4'-P energy: -4.054 tors. eta vs tors. theta energy: -6.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -45.489008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.489008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.489008 (E_RNA) where: Base-Base interactions energy: -18.117 where: short stacking energy: -18.117 Base-Backbone interact. energy: -0.124 local terms energy: -27.248601 where: bonds (distance) C4'-P energy: -5.162 bonds (distance) P-C4' energy: -8.075 flat angles C4'-P-C4' energy: -7.494 flat angles P-C4'-P energy: -4.296 tors. eta vs tors. theta energy: -2.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -47.912485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.912485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.912485 (E_RNA) where: Base-Base interactions energy: -21.478 where: short stacking energy: -20.868 Base-Backbone interact. energy: -0.130 local terms energy: -26.303966 where: bonds (distance) C4'-P energy: -7.568 bonds (distance) P-C4' energy: -7.122 flat angles C4'-P-C4' energy: -5.705 flat angles P-C4'-P energy: -4.176 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: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -51.089837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.089837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.089837 (E_RNA) where: Base-Base interactions energy: -22.547 where: short stacking energy: -11.560 Base-Backbone interact. energy: -0.214 local terms energy: -28.329561 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -6.892 flat angles C4'-P-C4' energy: -7.550 flat angles P-C4'-P energy: -4.737 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -40.242789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.242789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.242789 (E_RNA) where: Base-Base interactions energy: -14.120 where: short stacking energy: -13.777 Base-Backbone interact. energy: -0.011 local terms energy: -26.111391 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -5.734 flat angles C4'-P-C4' energy: -6.822 flat angles P-C4'-P energy: -6.233 tors. eta vs tors. theta energy: -0.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -45.517841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.517841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.517841 (E_RNA) where: Base-Base interactions energy: -16.356 where: short stacking energy: -16.356 Base-Backbone interact. energy: -0.664 local terms energy: -28.497518 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.621 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: 0.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -55.401890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.401890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.401890 (E_RNA) where: Base-Base interactions energy: -22.961 where: short stacking energy: -22.961 Base-Backbone interact. energy: -0.710 local terms energy: -31.731572 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.532 flat angles P-C4'-P energy: -3.803 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: 2, replica: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -70.433090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.433090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.433090 (E_RNA) where: Base-Base interactions energy: -36.483 where: short stacking energy: -28.179 Base-Backbone interact. energy: -0.001 local terms energy: -33.948855 where: bonds (distance) C4'-P energy: -7.943 bonds (distance) P-C4' energy: -6.152 flat angles C4'-P-C4' energy: -5.837 flat angles P-C4'-P energy: -4.579 tors. eta vs tors. theta energy: -9.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -61.712815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.712815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.712815 (E_RNA) where: Base-Base interactions energy: -25.275 where: short stacking energy: -25.275 Base-Backbone interact. energy: -0.133 local terms energy: -36.304400 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.590 flat angles C4'-P-C4' energy: -7.881 flat angles P-C4'-P energy: -4.748 tors. eta vs tors. theta energy: -7.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -58.399099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.399099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.399099 (E_RNA) where: Base-Base interactions energy: -23.257 where: short stacking energy: -23.257 Base-Backbone interact. energy: -0.000 local terms energy: -35.141177 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -6.909 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -4.866 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: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -57.801397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.801397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.801397 (E_RNA) where: Base-Base interactions energy: -28.651 where: short stacking energy: -28.651 Base-Backbone interact. energy: -0.000 local terms energy: -29.150485 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -5.401 flat angles C4'-P-C4' energy: -7.729 flat angles P-C4'-P energy: -2.070 tors. eta vs tors. theta energy: -6.329 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: 6, replica: 4 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -53.117867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.117867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.117867 (E_RNA) where: Base-Base interactions energy: -22.915 where: short stacking energy: -16.616 Base-Backbone interact. energy: -0.098 local terms energy: -30.104286 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -4.848 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: 7, replica: 10 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -56.644688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.644688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.644688 (E_RNA) where: Base-Base interactions energy: -24.360 where: short stacking energy: -17.626 Base-Backbone interact. energy: -0.000 local terms energy: -32.284192 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.830 flat angles C4'-P-C4' energy: -6.530 flat angles P-C4'-P energy: -4.377 tors. eta vs tors. theta energy: -5.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -45.357100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.357100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.357100 (E_RNA) where: Base-Base interactions energy: -15.275 where: short stacking energy: -15.189 Base-Backbone interact. energy: -0.123 local terms energy: -29.959352 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -5.178 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: 1 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -43.216750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.216750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.216750 (E_RNA) where: Base-Base interactions energy: -18.913 where: short stacking energy: -18.913 Base-Backbone interact. energy: -0.075 local terms energy: -24.229164 where: bonds (distance) C4'-P energy: -7.025 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.485 flat angles P-C4'-P energy: -1.028 tors. eta vs tors. theta energy: -3.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -44.719178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.719178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.719178 (E_RNA) where: Base-Base interactions energy: -19.387 where: short stacking energy: -11.848 Base-Backbone interact. energy: -0.241 local terms energy: -25.091620 where: bonds (distance) C4'-P energy: -6.690 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -5.260 flat angles P-C4'-P energy: -5.846 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: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -60.166498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.166498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.166498 (E_RNA) where: Base-Base interactions energy: -22.815 where: short stacking energy: -22.815 Base-Backbone interact. energy: -0.067 local terms energy: -37.284734 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.213 flat angles P-C4'-P energy: -7.319 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: 2, replica: 7 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -53.748152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.748152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.748152 (E_RNA) where: Base-Base interactions energy: -22.155 where: short stacking energy: -21.817 Base-Backbone interact. energy: -0.001 local terms energy: -31.592662 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.962 flat angles P-C4'-P energy: -4.292 tors. eta vs tors. theta energy: -3.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -66.934762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.934762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.934762 (E_RNA) where: Base-Base interactions energy: -30.411 where: short stacking energy: -22.624 Base-Backbone interact. energy: -1.532 local terms energy: -34.990957 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -9.101 flat angles C4'-P-C4' energy: -6.514 flat angles P-C4'-P energy: -4.918 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: 4, replica: 6 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -61.297967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.297967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.297967 (E_RNA) where: Base-Base interactions energy: -25.435 where: short stacking energy: -25.253 Base-Backbone interact. energy: -0.000 local terms energy: -35.862232 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -8.563 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -4.878 tors. eta vs tors. theta energy: -7.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -57.488468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.488468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.488468 (E_RNA) where: Base-Base interactions energy: -25.553 where: short stacking energy: -25.553 Base-Backbone interact. energy: -0.000 local terms energy: -31.935720 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -6.249 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: 6, replica: 10 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -51.637901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.637901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.637901 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -19.544 Base-Backbone interact. energy: -0.043 local terms energy: -32.051296 where: bonds (distance) C4'-P energy: -5.245 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -7.504 flat angles P-C4'-P energy: -5.013 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: 7, replica: 4 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -41.255720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.255720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.255720 (E_RNA) where: Base-Base interactions energy: -12.396 where: short stacking energy: -12.396 Base-Backbone interact. energy: 0.119 local terms energy: -28.979061 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.248 flat angles P-C4'-P energy: -5.770 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -38.759727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.759727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.759727 (E_RNA) where: Base-Base interactions energy: -15.271 where: short stacking energy: -13.247 Base-Backbone interact. energy: -0.056 local terms energy: -23.433060 where: bonds (distance) C4'-P energy: -3.757 bonds (distance) P-C4' energy: -6.650 flat angles C4'-P-C4' energy: -8.211 flat angles P-C4'-P energy: -4.018 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -46.133452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.133452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.133452 (E_RNA) where: Base-Base interactions energy: -15.623 where: short stacking energy: -15.623 Base-Backbone interact. energy: -0.093 local terms energy: -30.417401 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -9.814 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -6.274 tors. eta vs tors. theta energy: -0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -42.317015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.317015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.317015 (E_RNA) where: Base-Base interactions energy: -12.469 where: short stacking energy: -12.469 Base-Backbone interact. energy: -0.001 local terms energy: -29.847426 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.314 flat angles P-C4'-P energy: -3.312 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: 7 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -61.694163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.694163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.694163 (E_RNA) where: Base-Base interactions energy: -31.030 where: short stacking energy: -16.805 Base-Backbone interact. energy: -0.115 local terms energy: -30.549503 where: bonds (distance) C4'-P energy: -7.852 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -7.215 flat angles P-C4'-P energy: -5.161 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: 2, replica: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -64.662248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.662248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.662248 (E_RNA) where: Base-Base interactions energy: -31.495 where: short stacking energy: -19.457 Base-Backbone interact. energy: -0.012 local terms energy: -33.155086 where: bonds (distance) C4'-P energy: -7.596 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -7.404 flat angles P-C4'-P energy: -5.354 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: 3, replica: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -78.268982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.268982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.268982 (E_RNA) where: Base-Base interactions energy: -48.094 where: short stacking energy: -29.829 Base-Backbone interact. energy: -0.000 local terms energy: -30.174309 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -3.657 flat angles P-C4'-P energy: -3.353 tors. eta vs tors. theta energy: -5.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -51.936916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.936916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.936916 (E_RNA) where: Base-Base interactions energy: -22.933 where: short stacking energy: -22.790 Base-Backbone interact. energy: -0.031 local terms energy: -28.972640 where: bonds (distance) C4'-P energy: -5.179 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -5.173 tors. eta vs tors. theta energy: -2.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -55.242880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.242880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.242880 (E_RNA) where: Base-Base interactions energy: -21.387 where: short stacking energy: -21.387 Base-Backbone interact. energy: -0.057 local terms energy: -33.799262 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.493 flat angles P-C4'-P energy: -5.613 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: 6, replica: 3 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -47.977387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.977387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.977387 (E_RNA) where: Base-Base interactions energy: -21.552 where: short stacking energy: -21.552 Base-Backbone interact. energy: -0.051 local terms energy: -26.374172 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -5.190 flat angles P-C4'-P energy: -5.648 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: 426 Temperature: 1.200000 Total energy: -47.450979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.450979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.450979 (E_RNA) where: Base-Base interactions energy: -18.011 where: short stacking energy: -16.109 Base-Backbone interact. energy: -0.027 local terms energy: -29.412281 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -5.838 flat angles P-C4'-P energy: -3.641 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: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -43.942715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.942715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.942715 (E_RNA) where: Base-Base interactions energy: -18.868 where: short stacking energy: -17.681 Base-Backbone interact. energy: -0.075 local terms energy: -24.999960 where: bonds (distance) C4'-P energy: -4.993 bonds (distance) P-C4' energy: -7.351 flat angles C4'-P-C4' energy: -7.670 flat angles P-C4'-P energy: -3.496 tors. eta vs tors. theta energy: -1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -44.560370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.560370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.560370 (E_RNA) where: Base-Base interactions energy: -16.683 where: short stacking energy: -16.328 Base-Backbone interact. energy: 0.346 local terms energy: -28.222994 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.109 flat angles C4'-P-C4' energy: -6.581 flat angles P-C4'-P energy: -4.306 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: 10, replica: 2 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -46.669738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.669738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.669738 (E_RNA) where: Base-Base interactions energy: -18.233 where: short stacking energy: -18.233 Base-Backbone interact. energy: -0.072 local terms energy: -28.365143 where: bonds (distance) C4'-P energy: -7.372 bonds (distance) P-C4' energy: -5.477 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -4.175 tors. eta vs tors. theta energy: -3.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -70.772599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.772599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.772599 (E_RNA) where: Base-Base interactions energy: -31.975 where: short stacking energy: -31.975 Base-Backbone interact. energy: -0.000 local terms energy: -38.796937 where: bonds (distance) C4'-P energy: -7.854 bonds (distance) P-C4' energy: -7.667 flat angles C4'-P-C4' energy: -9.390 flat angles P-C4'-P energy: -2.869 tors. eta vs tors. theta energy: -11.016 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: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -73.097422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.097422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.097422 (E_RNA) where: Base-Base interactions energy: -37.129 where: short stacking energy: -23.132 Base-Backbone interact. energy: -0.085 local terms energy: -35.883481 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -6.866 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -7.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -53.091284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.091284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.091284 (E_RNA) where: Base-Base interactions energy: -20.126 where: short stacking energy: -20.126 Base-Backbone interact. energy: -0.085 local terms energy: -32.880053 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.309 flat angles P-C4'-P energy: -4.607 tors. eta vs tors. theta energy: -3.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -51.161678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.161678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.161678 (E_RNA) where: Base-Base interactions energy: -22.137 where: short stacking energy: -22.137 Base-Backbone interact. energy: -0.121 local terms energy: -28.903561 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -6.671 flat angles C4'-P-C4' energy: -7.047 flat angles P-C4'-P energy: -3.492 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: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -47.074166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.074166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.074166 (E_RNA) where: Base-Base interactions energy: -19.177 where: short stacking energy: -12.451 Base-Backbone interact. energy: -0.020 local terms energy: -27.877897 where: bonds (distance) C4'-P energy: -5.990 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: 0.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -52.978699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.978699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.978699 (E_RNA) where: Base-Base interactions energy: -27.051 where: short stacking energy: -16.790 Base-Backbone interact. energy: -0.012 local terms energy: -25.916623 where: bonds (distance) C4'-P energy: -4.988 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -5.862 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -2.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -56.319533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.319533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.319533 (E_RNA) where: Base-Base interactions energy: -31.617 where: short stacking energy: -22.051 Base-Backbone interact. energy: -0.001 local terms energy: -24.701221 where: bonds (distance) C4'-P energy: -2.491 bonds (distance) P-C4' energy: -7.128 flat angles C4'-P-C4' energy: -6.033 flat angles P-C4'-P energy: -3.796 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -45.919792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.919792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.919792 (E_RNA) where: Base-Base interactions energy: -18.248 where: short stacking energy: -16.472 Base-Backbone interact. energy: -0.040 local terms energy: -27.632425 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.348 flat angles P-C4'-P energy: -4.110 tors. eta vs tors. theta energy: -1.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -44.494917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.494917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.494917 (E_RNA) where: Base-Base interactions energy: -15.477 where: short stacking energy: -15.477 Base-Backbone interact. energy: -0.000 local terms energy: -29.018129 where: bonds (distance) C4'-P energy: -7.373 bonds (distance) P-C4' energy: -8.354 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -2.936 tors. eta vs tors. theta energy: -3.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -49.318512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.318512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.318512 (E_RNA) where: Base-Base interactions energy: -17.894 where: short stacking energy: -17.894 Base-Backbone interact. energy: -0.107 local terms energy: -31.317618 where: bonds (distance) C4'-P energy: -7.307 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -7.153 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -3.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -77.311424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.311424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.311424 (E_RNA) where: Base-Base interactions energy: -38.929 where: short stacking energy: -24.891 Base-Backbone interact. energy: -0.541 local terms energy: -37.841776 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -9.318 flat angles P-C4'-P energy: -6.894 tors. eta vs tors. theta energy: -6.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -63.528590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.528590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.528590 (E_RNA) where: Base-Base interactions energy: -28.481 where: short stacking energy: -23.033 Base-Backbone interact. energy: -0.100 local terms energy: -34.948350 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -7.599 flat angles P-C4'-P energy: -5.591 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: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -63.964824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.964824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.964824 (E_RNA) where: Base-Base interactions energy: -28.287 where: short stacking energy: -28.287 Base-Backbone interact. energy: 1.189 local terms energy: -36.867217 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.873 flat angles C4'-P-C4' energy: -6.595 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -9.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -50.977179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.977179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.977179 (E_RNA) where: Base-Base interactions energy: -17.547 where: short stacking energy: -17.547 Base-Backbone interact. energy: -0.016 local terms energy: -33.414723 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.987 flat angles P-C4'-P energy: -6.273 tors. eta vs tors. theta energy: -2.385 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: 5, replica: 1 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -52.642729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.642729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.642729 (E_RNA) where: Base-Base interactions energy: -21.929 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.000 local terms energy: -30.713667 where: bonds (distance) C4'-P energy: -4.202 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -3.585 flat angles P-C4'-P energy: -2.931 tors. eta vs tors. theta energy: -10.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -54.544650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.544650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.544650 (E_RNA) where: Base-Base interactions energy: -23.804 where: short stacking energy: -23.804 Base-Backbone interact. energy: -0.002 local terms energy: -30.737958 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -4.131 flat angles P-C4'-P energy: -4.076 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: 7, replica: 9 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -45.193106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.193106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.193106 (E_RNA) where: Base-Base interactions energy: -15.917 where: short stacking energy: -15.917 Base-Backbone interact. energy: -0.074 local terms energy: -29.202183 where: bonds (distance) C4'-P energy: -6.583 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.965 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -5.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -47.881540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.881540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.881540 (E_RNA) where: Base-Base interactions energy: -15.918 where: short stacking energy: -14.545 Base-Backbone interact. energy: -0.099 local terms energy: -31.864576 where: bonds (distance) C4'-P energy: -7.029 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -7.844 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -1.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -43.617008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.617008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.617008 (E_RNA) where: Base-Base interactions energy: -11.867 where: short stacking energy: -11.867 Base-Backbone interact. energy: -0.029 local terms energy: -31.721866 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -4.365 tors. eta vs tors. theta energy: -2.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -53.507030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.507030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.507030 (E_RNA) where: Base-Base interactions energy: -19.444 where: short stacking energy: -19.444 Base-Backbone interact. energy: 0.161 local terms energy: -34.223769 where: bonds (distance) C4'-P energy: -6.345 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.936 flat angles P-C4'-P energy: -6.080 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: 1, replica: 5 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -69.769934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.769934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.769934 (E_RNA) where: Base-Base interactions energy: -37.954 where: short stacking energy: -21.225 Base-Backbone interact. energy: -0.006 local terms energy: -31.809482 where: bonds (distance) C4'-P energy: -9.037 bonds (distance) P-C4' energy: -6.189 flat angles C4'-P-C4' energy: -6.346 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -4.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -55.404782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.404782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.404782 (E_RNA) where: Base-Base interactions energy: -20.581 where: short stacking energy: -20.581 Base-Backbone interact. energy: -0.016 local terms energy: -34.807415 where: bonds (distance) C4'-P energy: -6.805 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.059 flat angles P-C4'-P energy: -5.821 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: 3, replica: 7 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -68.709550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.709550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.709550 (E_RNA) where: Base-Base interactions energy: -41.898 where: short stacking energy: -16.393 Base-Backbone interact. energy: -0.336 local terms energy: -26.474971 where: bonds (distance) C4'-P energy: -7.580 bonds (distance) P-C4' energy: -8.668 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -5.229 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: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -56.339824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.339824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.339824 (E_RNA) where: Base-Base interactions energy: -28.218 where: short stacking energy: -28.218 Base-Backbone interact. energy: -0.029 local terms energy: -28.092285 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -4.162 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -6.269 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: 429 Temperature: 1.100000 Total energy: -49.883173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.883173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.883173 (E_RNA) where: Base-Base interactions energy: -20.200 where: short stacking energy: -20.200 Base-Backbone interact. energy: -0.078 local terms energy: -29.604902 where: bonds (distance) C4'-P energy: -7.728 bonds (distance) P-C4' energy: -6.192 flat angles C4'-P-C4' energy: -7.877 flat angles P-C4'-P energy: -3.245 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: 6, replica: 9 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -53.075618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.075618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.075618 (E_RNA) where: Base-Base interactions energy: -24.875 where: short stacking energy: -24.875 Base-Backbone interact. energy: -0.001 local terms energy: -28.200158 where: bonds (distance) C4'-P energy: -3.928 bonds (distance) P-C4' energy: -5.738 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -4.645 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: 7, replica: 6 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -45.248947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.248947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.248947 (E_RNA) where: Base-Base interactions energy: -18.201 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.028 local terms energy: -27.019897 where: bonds (distance) C4'-P energy: -6.185 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -5.209 flat angles P-C4'-P energy: -3.839 tors. eta vs tors. theta energy: -2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -44.242180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.242180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.242180 (E_RNA) where: Base-Base interactions energy: -14.304 where: short stacking energy: -14.304 Base-Backbone interact. energy: -0.040 local terms energy: -29.898359 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -8.727 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: 0.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -41.340589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.340589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.340589 (E_RNA) where: Base-Base interactions energy: -11.052 where: short stacking energy: -11.052 Base-Backbone interact. energy: -0.078 local terms energy: -30.211463 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -6.650 flat angles P-C4'-P energy: -6.265 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: 4 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -45.829124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.829124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.829124 (E_RNA) where: Base-Base interactions energy: -15.297 where: short stacking energy: -15.297 Base-Backbone interact. energy: -0.016 local terms energy: -30.516415 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -8.800 flat angles P-C4'-P energy: -3.310 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: 1, replica: 5 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -69.244086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.244086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.244086 (E_RNA) where: Base-Base interactions energy: -29.091 where: short stacking energy: -29.091 Base-Backbone interact. energy: -0.000 local terms energy: -40.152426 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -6.156 flat angles C4'-P-C4' energy: -6.938 flat angles P-C4'-P energy: -7.826 tors. eta vs tors. theta energy: -11.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -61.283055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.283055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.283055 (E_RNA) where: Base-Base interactions energy: -27.006 where: short stacking energy: -27.206 Base-Backbone interact. energy: -0.013 local terms energy: -34.264036 where: bonds (distance) C4'-P energy: -6.798 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -8.624 flat angles P-C4'-P energy: -4.879 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: 1 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -76.787635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.787635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.787635 (E_RNA) where: Base-Base interactions energy: -45.190 where: short stacking energy: -26.632 Base-Backbone interact. energy: -0.002 local terms energy: -31.595933 where: bonds (distance) C4'-P energy: -7.374 bonds (distance) P-C4' energy: -5.489 flat angles C4'-P-C4' energy: -6.565 flat angles P-C4'-P energy: -4.485 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: 4, replica: 7 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -61.865439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.865439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.865439 (E_RNA) where: Base-Base interactions energy: -24.184 where: short stacking energy: -24.184 Base-Backbone interact. energy: -0.020 local terms energy: -37.661313 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.226 flat angles P-C4'-P energy: -6.027 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: 5, replica: 9 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -50.316374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.316374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.316374 (E_RNA) where: Base-Base interactions energy: -21.560 where: short stacking energy: -20.534 Base-Backbone interact. energy: -0.111 local terms energy: -28.646228 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -6.736 flat angles P-C4'-P energy: -1.093 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: 6, replica: 10 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -51.643804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.643804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.643804 (E_RNA) where: Base-Base interactions energy: -20.813 where: short stacking energy: -20.813 Base-Backbone interact. energy: -0.000 local terms energy: -30.830459 where: bonds (distance) C4'-P energy: -7.907 bonds (distance) P-C4' energy: -3.948 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -4.640 tors. eta vs tors. theta energy: -6.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -46.160707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.160707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.160707 (E_RNA) where: Base-Base interactions energy: -17.107 where: short stacking energy: -14.989 Base-Backbone interact. energy: -0.000 local terms energy: -29.053477 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -6.585 flat angles C4'-P-C4' energy: -5.317 flat angles P-C4'-P energy: -6.194 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: 8, replica: 6 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -48.252319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.252319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.252319 (E_RNA) where: Base-Base interactions energy: -18.721 where: short stacking energy: -16.384 Base-Backbone interact. energy: -0.000 local terms energy: -29.531123 where: bonds (distance) C4'-P energy: -5.092 bonds (distance) P-C4' energy: -7.938 flat angles C4'-P-C4' energy: -5.103 flat angles P-C4'-P energy: -5.810 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -40.074426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.074426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.074426 (E_RNA) where: Base-Base interactions energy: -12.767 where: short stacking energy: -12.767 Base-Backbone interact. energy: -0.124 local terms energy: -27.182510 where: bonds (distance) C4'-P energy: -6.222 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -6.643 flat angles P-C4'-P energy: -4.146 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: 3 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -45.704930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.704930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.704930 (E_RNA) where: Base-Base interactions energy: -19.560 where: short stacking energy: -19.560 Base-Backbone interact. energy: -0.000 local terms energy: -26.144106 where: bonds (distance) C4'-P energy: -4.143 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -4.900 flat angles P-C4'-P energy: -4.659 tors. eta vs tors. theta energy: -3.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -72.294185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.294185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.294185 (E_RNA) where: Base-Base interactions energy: -30.360 where: short stacking energy: -30.360 Base-Backbone interact. energy: -0.000 local terms energy: -41.934506 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.621 flat angles P-C4'-P energy: -6.747 tors. eta vs tors. theta energy: -9.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -65.006498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.006498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.006498 (E_RNA) where: Base-Base interactions energy: -30.220 where: short stacking energy: -24.648 Base-Backbone interact. energy: -0.001 local terms energy: -34.785413 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -5.199 tors. eta vs tors. theta energy: -7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -57.526719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.526719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.526719 (E_RNA) where: Base-Base interactions energy: -25.865 where: short stacking energy: -25.865 Base-Backbone interact. energy: -0.000 local terms energy: -31.661360 where: bonds (distance) C4'-P energy: -2.650 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -7.536 flat angles P-C4'-P energy: -5.554 tors. eta vs tors. theta energy: -7.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -61.552980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.552980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.552980 (E_RNA) where: Base-Base interactions energy: -26.908 where: short stacking energy: -26.550 Base-Backbone interact. energy: -0.000 local terms energy: -34.644853 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -8.008 flat angles P-C4'-P energy: -4.324 tors. eta vs tors. theta energy: -6.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -56.449796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.449796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.449796 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -20.793 Base-Backbone interact. energy: -0.038 local terms energy: -30.328414 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -4.106 flat angles P-C4'-P energy: -3.558 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: 6, replica: 2 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -54.720842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.720842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.720842 (E_RNA) where: Base-Base interactions energy: -20.149 where: short stacking energy: -20.149 Base-Backbone interact. energy: -0.006 local terms energy: -34.566000 where: bonds (distance) C4'-P energy: -7.345 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -7.368 flat angles P-C4'-P energy: -3.756 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: 7, replica: 10 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -50.480862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.480862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.480862 (E_RNA) where: Base-Base interactions energy: -19.439 where: short stacking energy: -13.642 Base-Backbone interact. energy: -0.305 local terms energy: -30.737168 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -8.631 flat angles P-C4'-P energy: -2.272 tors. eta vs tors. theta energy: -4.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -52.864092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.864092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.864092 (E_RNA) where: Base-Base interactions energy: -24.836 where: short stacking energy: -24.836 Base-Backbone interact. energy: -0.000 local terms energy: -28.027830 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -8.277 flat angles C4'-P-C4' energy: -4.020 flat angles P-C4'-P energy: -2.998 tors. eta vs tors. theta energy: -6.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -51.087401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.087401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.087401 (E_RNA) where: Base-Base interactions energy: -23.648 where: short stacking energy: -23.648 Base-Backbone interact. energy: -0.007 local terms energy: -27.432406 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.503 flat angles C4'-P-C4' energy: -5.205 flat angles P-C4'-P energy: -5.531 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: 10, replica: 3 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -46.991502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.991502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.991502 (E_RNA) where: Base-Base interactions energy: -18.054 where: short stacking energy: -18.054 Base-Backbone interact. energy: -0.055 local terms energy: -28.881627 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -3.816 flat angles P-C4'-P energy: -5.656 tors. eta vs tors. theta energy: -2.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -65.291843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.291843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.291843 (E_RNA) where: Base-Base interactions energy: -30.375 where: short stacking energy: -26.000 Base-Backbone interact. energy: -0.001 local terms energy: -34.915784 where: bonds (distance) C4'-P energy: -6.593 bonds (distance) P-C4' energy: -7.503 flat angles C4'-P-C4' energy: -7.641 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -55.791477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.791477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.791477 (E_RNA) where: Base-Base interactions energy: -27.317 where: short stacking energy: -18.556 Base-Backbone interact. energy: 0.170 local terms energy: -28.643784 where: bonds (distance) C4'-P energy: -7.214 bonds (distance) P-C4' energy: -8.516 flat angles C4'-P-C4' energy: -6.420 flat angles P-C4'-P energy: -2.583 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: 3, replica: 9 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -45.129879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.129879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.129879 (E_RNA) where: Base-Base interactions energy: -13.715 where: short stacking energy: -13.715 Base-Backbone interact. energy: -0.026 local terms energy: -31.388572 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -4.068 tors. eta vs tors. theta energy: -3.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -60.269860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.269860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.269860 (E_RNA) where: Base-Base interactions energy: -28.426 where: short stacking energy: -21.269 Base-Backbone interact. energy: -0.000 local terms energy: -31.843377 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -6.907 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -1.813 tors. eta vs tors. theta energy: -9.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -59.020285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.020285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.020285 (E_RNA) where: Base-Base interactions energy: -21.461 where: short stacking energy: -21.461 Base-Backbone interact. energy: -0.000 local terms energy: -37.558916 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.314 flat angles C4'-P-C4' energy: -6.529 flat angles P-C4'-P energy: -6.082 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: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -52.378370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.378370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.378370 (E_RNA) where: Base-Base interactions energy: -19.916 where: short stacking energy: -19.916 Base-Backbone interact. energy: -0.006 local terms energy: -32.455987 where: bonds (distance) C4'-P energy: -8.487 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -8.109 flat angles P-C4'-P energy: -5.075 tors. eta vs tors. theta energy: -3.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -54.768548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.768548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.768548 (E_RNA) where: Base-Base interactions energy: -21.738 where: short stacking energy: -21.738 Base-Backbone interact. energy: -0.072 local terms energy: -32.957966 where: bonds (distance) C4'-P energy: -5.948 bonds (distance) P-C4' energy: -8.164 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -4.807 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: 8, replica: 6 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -44.883486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.883486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.883486 (E_RNA) where: Base-Base interactions energy: -16.659 where: short stacking energy: -10.578 Base-Backbone interact. energy: -0.116 local terms energy: -28.108583 where: bonds (distance) C4'-P energy: -4.090 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -7.933 flat angles P-C4'-P energy: -5.086 tors. eta vs tors. theta energy: -2.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -44.540052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.540052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.540052 (E_RNA) where: Base-Base interactions energy: -15.631 where: short stacking energy: -15.631 Base-Backbone interact. energy: -0.143 local terms energy: -28.766376 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -6.839 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -0.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -46.834008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.834008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.834008 (E_RNA) where: Base-Base interactions energy: -17.422 where: short stacking energy: -17.422 Base-Backbone interact. energy: -0.000 local terms energy: -29.411266 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -6.002 flat angles P-C4'-P energy: -3.010 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: 1, replica: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -75.132494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.132494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.132494 (E_RNA) where: Base-Base interactions energy: -36.605 where: short stacking energy: -36.605 Base-Backbone interact. energy: -0.000 local terms energy: -38.527959 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -8.573 flat angles C4'-P-C4' energy: -8.432 flat angles P-C4'-P energy: -4.210 tors. eta vs tors. theta energy: -10.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -63.666112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.666112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.666112 (E_RNA) where: Base-Base interactions energy: -29.353 where: short stacking energy: -29.353 Base-Backbone interact. energy: -0.000 local terms energy: -34.313095 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.966 flat angles P-C4'-P energy: -5.054 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: 3, replica: 1 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -55.576232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.576232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.576232 (E_RNA) where: Base-Base interactions energy: -22.987 where: short stacking energy: -17.957 Base-Backbone interact. energy: -0.061 local terms energy: -32.527976 where: bonds (distance) C4'-P energy: -6.123 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.256 flat angles P-C4'-P energy: -5.929 tors. eta vs tors. theta energy: -5.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -63.211938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.211938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.211938 (E_RNA) where: Base-Base interactions energy: -26.782 where: short stacking energy: -26.782 Base-Backbone interact. energy: -0.000 local terms energy: -36.430078 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.872 flat angles P-C4'-P energy: -4.055 tors. eta vs tors. theta energy: -8.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -48.630423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.630423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.630423 (E_RNA) where: Base-Base interactions energy: -25.888 where: short stacking energy: -16.642 Base-Backbone interact. energy: -0.018 local terms energy: -22.724365 where: bonds (distance) C4'-P energy: -7.696 bonds (distance) P-C4' energy: -8.439 flat angles C4'-P-C4' energy: -3.345 flat angles P-C4'-P energy: -1.111 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: 6, replica: 10 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -59.870108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.870108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.870108 (E_RNA) where: Base-Base interactions energy: -29.474 where: short stacking energy: -20.673 Base-Backbone interact. energy: 0.250 local terms energy: -30.646101 where: bonds (distance) C4'-P energy: -5.519 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -5.415 tors. eta vs tors. theta energy: -2.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -46.710058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.710058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.710058 (E_RNA) where: Base-Base interactions energy: -21.192 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.008 local terms energy: -25.510885 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -5.372 flat angles P-C4'-P energy: -4.970 tors. eta vs tors. theta energy: -1.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -49.895311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.895311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.895311 (E_RNA) where: Base-Base interactions energy: -23.899 where: short stacking energy: -23.899 Base-Backbone interact. energy: -0.002 local terms energy: -25.993821 where: bonds (distance) C4'-P energy: -7.695 bonds (distance) P-C4' energy: -7.657 flat angles C4'-P-C4' energy: -6.654 flat angles P-C4'-P energy: -0.519 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: 6 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -48.074206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.074206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.074206 (E_RNA) where: Base-Base interactions energy: -15.825 where: short stacking energy: -15.825 Base-Backbone interact. energy: -0.028 local terms energy: -32.220476 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -7.171 flat angles P-C4'-P energy: -4.269 tors. eta vs tors. theta energy: -5.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -40.203048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.203048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.203048 (E_RNA) where: Base-Base interactions energy: -19.278 where: short stacking energy: -17.471 Base-Backbone interact. energy: -0.091 local terms energy: -20.833230 where: bonds (distance) C4'-P energy: -2.127 bonds (distance) P-C4' energy: -5.431 flat angles C4'-P-C4' energy: -6.904 flat angles P-C4'-P energy: -3.099 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: 9 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -62.358314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.358314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.358314 (E_RNA) where: Base-Base interactions energy: -26.084 where: short stacking energy: -26.084 Base-Backbone interact. energy: -0.000 local terms energy: -36.273805 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -9.807 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -3.437 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: 2, replica: 5 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -61.936137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.936137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.936137 (E_RNA) where: Base-Base interactions energy: -28.650 where: short stacking energy: -28.650 Base-Backbone interact. energy: -0.040 local terms energy: -33.246738 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.787 flat angles P-C4'-P energy: -5.039 tors. eta vs tors. theta energy: -7.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -58.323666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.323666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.323666 (E_RNA) where: Base-Base interactions energy: -27.278 where: short stacking energy: -17.488 Base-Backbone interact. energy: 0.034 local terms energy: -31.079905 where: bonds (distance) C4'-P energy: -6.350 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.749 flat angles P-C4'-P energy: -5.974 tors. eta vs tors. theta energy: -1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -58.128461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.128461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.128461 (E_RNA) where: Base-Base interactions energy: -27.642 where: short stacking energy: -20.303 Base-Backbone interact. energy: 0.032 local terms energy: -30.518035 where: bonds (distance) C4'-P energy: -8.175 bonds (distance) P-C4' energy: -6.090 flat angles C4'-P-C4' energy: -6.809 flat angles P-C4'-P energy: -5.325 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: 5, replica: 10 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -54.227908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.227908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.227908 (E_RNA) where: Base-Base interactions energy: -21.753 where: short stacking energy: -21.753 Base-Backbone interact. energy: -0.001 local terms energy: -32.474389 where: bonds (distance) C4'-P energy: -4.765 bonds (distance) P-C4' energy: -8.119 flat angles C4'-P-C4' energy: -7.027 flat angles P-C4'-P energy: -6.445 tors. eta vs tors. theta energy: -6.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -49.299908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.299908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.299908 (E_RNA) where: Base-Base interactions energy: -21.406 where: short stacking energy: -21.406 Base-Backbone interact. energy: -0.012 local terms energy: -27.882463 where: bonds (distance) C4'-P energy: -6.669 bonds (distance) P-C4' energy: -6.352 flat angles C4'-P-C4' energy: -8.189 flat angles P-C4'-P energy: -3.606 tors. eta vs tors. theta energy: -3.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -46.473278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.473278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.473278 (E_RNA) where: Base-Base interactions energy: -16.127 where: short stacking energy: -16.127 Base-Backbone interact. energy: -0.113 local terms energy: -30.233541 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -8.454 flat angles C4'-P-C4' energy: -7.160 flat angles P-C4'-P energy: -5.237 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: 8, replica: 7 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -46.114634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.114634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.114634 (E_RNA) where: Base-Base interactions energy: -14.774 where: short stacking energy: -14.774 Base-Backbone interact. energy: -0.000 local terms energy: -31.340042 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.178 flat angles P-C4'-P energy: -6.211 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: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -41.358955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.358955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.358955 (E_RNA) where: Base-Base interactions energy: -13.245 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.152 local terms energy: -27.961561 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.546 flat angles P-C4'-P energy: -4.451 tors. eta vs tors. theta energy: -0.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -41.425274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.425274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.425274 (E_RNA) where: Base-Base interactions energy: -10.997 where: short stacking energy: -9.295 Base-Backbone interact. energy: -0.118 local terms energy: -30.309414 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.184 flat angles P-C4'-P energy: -2.969 tors. eta vs tors. theta energy: -2.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -64.839353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.839353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.839353 (E_RNA) where: Base-Base interactions energy: -28.938 where: short stacking energy: -28.938 Base-Backbone interact. energy: -0.000 local terms energy: -35.900859 where: bonds (distance) C4'-P energy: -7.265 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -7.948 flat angles P-C4'-P energy: -4.192 tors. eta vs tors. theta energy: -8.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -56.600507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.600507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.600507 (E_RNA) where: Base-Base interactions energy: -25.574 where: short stacking energy: -25.574 Base-Backbone interact. energy: -0.000 local terms energy: -31.026072 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -6.545 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -2.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -53.195216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.195216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.195216 (E_RNA) where: Base-Base interactions energy: -19.014 where: short stacking energy: -19.014 Base-Backbone interact. energy: -0.000 local terms energy: -34.181479 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.051 flat angles C4'-P-C4' energy: -8.736 flat angles P-C4'-P energy: -3.781 tors. eta vs tors. theta energy: -4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -62.453874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.453874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.453874 (E_RNA) where: Base-Base interactions energy: -29.407 where: short stacking energy: -25.444 Base-Backbone interact. energy: -0.083 local terms energy: -32.964139 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -8.740 flat angles P-C4'-P energy: -3.251 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -60.745116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.745116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.745116 (E_RNA) where: Base-Base interactions energy: -22.473 where: short stacking energy: -22.473 Base-Backbone interact. energy: -0.001 local terms energy: -38.271576 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.252 flat angles P-C4'-P energy: -4.205 tors. eta vs tors. theta energy: -8.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -62.018794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.018794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.018794 (E_RNA) where: Base-Base interactions energy: -34.804 where: short stacking energy: -19.197 Base-Backbone interact. energy: -0.619 local terms energy: -26.596204 where: bonds (distance) C4'-P energy: -6.789 bonds (distance) P-C4' energy: -7.177 flat angles C4'-P-C4' energy: -7.401 flat angles P-C4'-P energy: -3.024 tors. eta vs tors. theta energy: -2.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -43.959165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.959165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.959165 (E_RNA) where: Base-Base interactions energy: -12.561 where: short stacking energy: -12.561 Base-Backbone interact. energy: -0.003 local terms energy: -31.394944 where: bonds (distance) C4'-P energy: -7.456 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -6.382 flat angles P-C4'-P energy: -4.090 tors. eta vs tors. theta energy: -4.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -44.758564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.758564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.758564 (E_RNA) where: Base-Base interactions energy: -18.324 where: short stacking energy: -18.324 Base-Backbone interact. energy: 0.021 local terms energy: -26.455036 where: bonds (distance) C4'-P energy: -6.619 bonds (distance) P-C4' energy: -3.457 flat angles C4'-P-C4' energy: -5.722 flat angles P-C4'-P energy: -4.570 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: 9, replica: 7 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -56.537241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.537241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.537241 (E_RNA) where: Base-Base interactions energy: -26.314 where: short stacking energy: -26.314 Base-Backbone interact. energy: -0.000 local terms energy: -30.223130 where: bonds (distance) C4'-P energy: -6.193 bonds (distance) P-C4' energy: -8.348 flat angles C4'-P-C4' energy: -5.393 flat angles P-C4'-P energy: -3.628 tors. eta vs tors. theta energy: -6.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -47.944045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.944045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.944045 (E_RNA) where: Base-Base interactions energy: -17.961 where: short stacking energy: -17.961 Base-Backbone interact. energy: -0.013 local terms energy: -29.970124 where: bonds (distance) C4'-P energy: -7.196 bonds (distance) P-C4' energy: -7.103 flat angles C4'-P-C4' energy: -8.183 flat angles P-C4'-P energy: -4.484 tors. eta vs tors. theta energy: -3.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -61.458465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.458465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.458465 (E_RNA) where: Base-Base interactions energy: -24.365 where: short stacking energy: -24.365 Base-Backbone interact. energy: -0.002 local terms energy: -37.091678 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.316 flat angles P-C4'-P energy: -5.729 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -67.300761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.300761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.300761 (E_RNA) where: Base-Base interactions energy: -34.666 where: short stacking energy: -22.840 Base-Backbone interact. energy: 1.910 local terms energy: -34.544798 where: bonds (distance) C4'-P energy: -8.689 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -5.920 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -6.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -58.212677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.212677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.212677 (E_RNA) where: Base-Base interactions energy: -24.173 where: short stacking energy: -23.821 Base-Backbone interact. energy: -0.080 local terms energy: -33.959104 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -8.023 flat angles P-C4'-P energy: -4.937 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: 10 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -51.099772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.099772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.099772 (E_RNA) where: Base-Base interactions energy: -20.120 where: short stacking energy: -20.070 Base-Backbone interact. energy: -0.003 local terms energy: -30.976909 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -7.507 tors. eta vs tors. theta energy: -0.850 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: 3 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -47.683816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.683816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.683816 (E_RNA) where: Base-Base interactions energy: -17.622 where: short stacking energy: -17.177 Base-Backbone interact. energy: -0.012 local terms energy: -30.050502 where: bonds (distance) C4'-P energy: -7.215 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.337 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: 6, replica: 1 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -49.164405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.164405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.164405 (E_RNA) where: Base-Base interactions energy: -16.862 where: short stacking energy: -16.673 Base-Backbone interact. energy: 0.272 local terms energy: -32.574425 where: bonds (distance) C4'-P energy: -6.346 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -7.963 flat angles P-C4'-P energy: -4.969 tors. eta vs tors. theta energy: -4.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -43.776174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.776174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.776174 (E_RNA) where: Base-Base interactions energy: -13.363 where: short stacking energy: -12.690 Base-Backbone interact. energy: -0.031 local terms energy: -30.381797 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.159 flat angles P-C4'-P energy: -5.910 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: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -46.925972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.925972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.925972 (E_RNA) where: Base-Base interactions energy: -19.805 where: short stacking energy: -16.770 Base-Backbone interact. energy: -0.001 local terms energy: -27.119655 where: bonds (distance) C4'-P energy: -6.205 bonds (distance) P-C4' energy: -4.795 flat angles C4'-P-C4' energy: -7.135 flat angles P-C4'-P energy: -3.468 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: 9, replica: 6 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -37.666839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.666839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.666839 (E_RNA) where: Base-Base interactions energy: -11.267 where: short stacking energy: -9.567 Base-Backbone interact. energy: -0.117 local terms energy: -26.282856 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.349 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -0.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -51.125223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.125223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.125223 (E_RNA) where: Base-Base interactions energy: -26.577 where: short stacking energy: -25.395 Base-Backbone interact. energy: -0.000 local terms energy: -24.548376 where: bonds (distance) C4'-P energy: -1.747 bonds (distance) P-C4' energy: -4.311 flat angles C4'-P-C4' energy: -3.900 flat angles P-C4'-P energy: -6.114 tors. eta vs tors. theta energy: -8.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -65.666298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.666298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.666298 (E_RNA) where: Base-Base interactions energy: -28.999 where: short stacking energy: -28.999 Base-Backbone interact. energy: -0.001 local terms energy: -36.665998 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -66.608888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.608888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.608888 (E_RNA) where: Base-Base interactions energy: -30.054 where: short stacking energy: -30.054 Base-Backbone interact. energy: -0.000 local terms energy: -36.555377 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.228 flat angles P-C4'-P energy: -4.417 tors. eta vs tors. theta energy: -8.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -81.943425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.943425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.943425 (E_RNA) where: Base-Base interactions energy: -43.342 where: short stacking energy: -25.964 Base-Backbone interact. energy: -0.006 local terms energy: -38.594929 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -9.141 flat angles C4'-P-C4' energy: -9.537 flat angles P-C4'-P energy: -4.856 tors. eta vs tors. theta energy: -7.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -50.438567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.438567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.438567 (E_RNA) where: Base-Base interactions energy: -21.452 where: short stacking energy: -18.463 Base-Backbone interact. energy: -0.022 local terms energy: -28.965241 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.874 flat angles P-C4'-P energy: -3.083 tors. eta vs tors. theta energy: -3.546 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: 10 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -57.424259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.424259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.424259 (E_RNA) where: Base-Base interactions energy: -21.253 where: short stacking energy: -20.550 Base-Backbone interact. energy: -0.004 local terms energy: -36.166885 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.797 flat angles P-C4'-P energy: -5.091 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: 6, replica: 4 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -51.076890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.076890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.076890 (E_RNA) where: Base-Base interactions energy: -20.359 where: short stacking energy: -20.359 Base-Backbone interact. energy: -0.010 local terms energy: -30.707386 where: bonds (distance) C4'-P energy: -6.504 bonds (distance) P-C4' energy: -7.435 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -4.016 tors. eta vs tors. theta energy: -5.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -49.222644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.222644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.222644 (E_RNA) where: Base-Base interactions energy: -20.836 where: short stacking energy: -20.029 Base-Backbone interact. energy: -0.099 local terms energy: -28.288243 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -7.610 flat angles C4'-P-C4' energy: -7.557 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -1.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -47.130356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.130356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.130356 (E_RNA) where: Base-Base interactions energy: -17.639 where: short stacking energy: -17.639 Base-Backbone interact. energy: -0.121 local terms energy: -29.371182 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -5.947 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -1.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -43.190055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.190055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.190055 (E_RNA) where: Base-Base interactions energy: -16.582 where: short stacking energy: -15.942 Base-Backbone interact. energy: -0.075 local terms energy: -26.533416 where: bonds (distance) C4'-P energy: -4.753 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -4.806 flat angles P-C4'-P energy: -3.198 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: 10, replica: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -47.213473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.213473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.213473 (E_RNA) where: Base-Base interactions energy: -16.794 where: short stacking energy: -16.794 Base-Backbone interact. energy: -0.000 local terms energy: -30.419430 where: bonds (distance) C4'-P energy: -7.204 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.718 flat angles P-C4'-P energy: -5.840 tors. eta vs tors. theta energy: -2.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -61.361948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.361948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.361948 (E_RNA) where: Base-Base interactions energy: -27.479 where: short stacking energy: -27.479 Base-Backbone interact. energy: -0.000 local terms energy: -33.882726 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -8.973 flat angles P-C4'-P energy: -3.758 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: 2, replica: 9 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -63.217698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.217698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.217698 (E_RNA) where: Base-Base interactions energy: -27.174 where: short stacking energy: -27.174 Base-Backbone interact. energy: -0.000 local terms energy: -36.044036 where: bonds (distance) C4'-P energy: -6.749 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -7.074 flat angles P-C4'-P energy: -5.635 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: 3, replica: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -75.273200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.273200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.273200 (E_RNA) where: Base-Base interactions energy: -41.375 where: short stacking energy: -26.008 Base-Backbone interact. energy: -0.002 local terms energy: -33.896741 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -7.623 flat angles P-C4'-P energy: -5.654 tors. eta vs tors. theta energy: -3.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -61.266475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.266475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.266475 (E_RNA) where: Base-Base interactions energy: -29.998 where: short stacking energy: -22.478 Base-Backbone interact. energy: -0.003 local terms energy: -31.265653 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -7.690 flat angles P-C4'-P energy: -5.696 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: 5, replica: 4 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -59.100423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.100423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.100423 (E_RNA) where: Base-Base interactions energy: -23.919 where: short stacking energy: -23.919 Base-Backbone interact. energy: -0.000 local terms energy: -35.180883 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -8.576 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -5.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -52.454324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.454324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.454324 (E_RNA) where: Base-Base interactions energy: -20.598 where: short stacking energy: -17.571 Base-Backbone interact. energy: -0.001 local terms energy: -31.855448 where: bonds (distance) C4'-P energy: -6.715 bonds (distance) P-C4' energy: -5.966 flat angles C4'-P-C4' energy: -5.847 flat angles P-C4'-P energy: -5.801 tors. eta vs tors. theta energy: -7.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -45.934883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.934883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.934883 (E_RNA) where: Base-Base interactions energy: -17.708 where: short stacking energy: -17.708 Base-Backbone interact. energy: -0.005 local terms energy: -28.221723 where: bonds (distance) C4'-P energy: -6.080 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.726 flat angles P-C4'-P energy: -3.133 tors. eta vs tors. theta energy: -4.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -51.121630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.121630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.121630 (E_RNA) where: Base-Base interactions energy: -16.393 where: short stacking energy: -16.393 Base-Backbone interact. energy: -0.008 local terms energy: -34.720873 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -7.069 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -6.737 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: 9, replica: 7 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -40.174145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.174145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.174145 (E_RNA) where: Base-Base interactions energy: -12.520 where: short stacking energy: -12.520 Base-Backbone interact. energy: -0.002 local terms energy: -27.651903 where: bonds (distance) C4'-P energy: -6.238 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -5.939 flat angles P-C4'-P energy: -3.778 tors. eta vs tors. theta energy: -2.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -43.552977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.552977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.552977 (E_RNA) where: Base-Base interactions energy: -18.871 where: short stacking energy: -18.871 Base-Backbone interact. energy: -0.094 local terms energy: -24.587851 where: bonds (distance) C4'-P energy: -7.097 bonds (distance) P-C4' energy: -6.971 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -1.634 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: 1, replica: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -61.478815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.478815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.478815 (E_RNA) where: Base-Base interactions energy: -25.147 where: short stacking energy: -25.147 Base-Backbone interact. energy: -0.002 local terms energy: -36.330111 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -7.753 flat angles C4'-P-C4' energy: -6.941 flat angles P-C4'-P energy: -4.930 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: 2, replica: 9 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -54.994097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.994097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.994097 (E_RNA) where: Base-Base interactions energy: -20.662 where: short stacking energy: -20.662 Base-Backbone interact. energy: -0.059 local terms energy: -34.273489 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.290 flat angles C4'-P-C4' energy: -6.418 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -6.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -62.408010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.408010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.408010 (E_RNA) where: Base-Base interactions energy: -31.660 where: short stacking energy: -18.883 Base-Backbone interact. energy: -0.065 local terms energy: -30.682716 where: bonds (distance) C4'-P energy: -6.221 bonds (distance) P-C4' energy: -7.502 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -5.357 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: 4, replica: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -61.238647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.238647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.238647 (E_RNA) where: Base-Base interactions energy: -28.255 where: short stacking energy: -27.871 Base-Backbone interact. energy: -0.023 local terms energy: -32.960414 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.186 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -5.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -49.030788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.030788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.030788 (E_RNA) where: Base-Base interactions energy: -22.589 where: short stacking energy: -19.518 Base-Backbone interact. energy: -0.119 local terms energy: -26.321976 where: bonds (distance) C4'-P energy: -4.940 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -6.752 flat angles P-C4'-P energy: -2.202 tors. eta vs tors. theta energy: -3.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -53.764874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.764874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.764874 (E_RNA) where: Base-Base interactions energy: -25.542 where: short stacking energy: -25.542 Base-Backbone interact. energy: -0.018 local terms energy: -28.204733 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -6.181 flat angles P-C4'-P energy: -2.203 tors. eta vs tors. theta energy: -4.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -47.538470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.538470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.538470 (E_RNA) where: Base-Base interactions energy: -18.773 where: short stacking energy: -18.773 Base-Backbone interact. energy: -0.020 local terms energy: -28.744784 where: bonds (distance) C4'-P energy: -4.300 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -8.312 flat angles P-C4'-P energy: -4.840 tors. eta vs tors. theta energy: -3.109 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: 7 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -42.797189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.797189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.797189 (E_RNA) where: Base-Base interactions energy: -18.049 where: short stacking energy: -17.376 Base-Backbone interact. energy: 0.399 local terms energy: -25.147229 where: bonds (distance) C4'-P energy: -5.936 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -4.601 flat angles P-C4'-P energy: -2.710 tors. eta vs tors. theta energy: -2.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -50.567710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.567710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.567710 (E_RNA) where: Base-Base interactions energy: -20.271 where: short stacking energy: -20.271 Base-Backbone interact. energy: -0.003 local terms energy: -30.293538 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.548 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -3.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -41.494153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.494153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.494153 (E_RNA) where: Base-Base interactions energy: -10.756 where: short stacking energy: -10.756 Base-Backbone interact. energy: -0.005 local terms energy: -30.733687 where: bonds (distance) C4'-P energy: -9.169 bonds (distance) P-C4' energy: -7.646 flat angles C4'-P-C4' energy: -5.537 flat angles P-C4'-P energy: -4.704 tors. eta vs tors. theta energy: -3.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -70.541247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.541247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.541247 (E_RNA) where: Base-Base interactions energy: -32.254 where: short stacking energy: -32.254 Base-Backbone interact. energy: -0.002 local terms energy: -38.285033 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -7.136 flat angles P-C4'-P energy: -7.058 tors. eta vs tors. theta energy: -8.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -62.556747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.556747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.556747 (E_RNA) where: Base-Base interactions energy: -26.957 where: short stacking energy: -26.957 Base-Backbone interact. energy: -0.000 local terms energy: -35.599464 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -54.562696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.562696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.562696 (E_RNA) where: Base-Base interactions energy: -23.568 where: short stacking energy: -20.506 Base-Backbone interact. energy: -0.007 local terms energy: -30.988670 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.383 flat angles C4'-P-C4' energy: -6.526 flat angles P-C4'-P energy: -4.426 tors. eta vs tors. theta energy: -3.996 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: 8 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -59.710029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.710029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.710029 (E_RNA) where: Base-Base interactions energy: -23.147 where: short stacking energy: -23.147 Base-Backbone interact. energy: -0.000 local terms energy: -36.562791 where: bonds (distance) C4'-P energy: -8.059 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.130 flat angles P-C4'-P energy: -5.573 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: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -45.906802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.906802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.906802 (E_RNA) where: Base-Base interactions energy: -17.384 where: short stacking energy: -17.384 Base-Backbone interact. energy: -0.016 local terms energy: -28.507543 where: bonds (distance) C4'-P energy: -8.011 bonds (distance) P-C4' energy: -6.848 flat angles C4'-P-C4' energy: -0.515 flat angles P-C4'-P energy: -6.104 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: 6, replica: 4 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -47.945294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.945294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.945294 (E_RNA) where: Base-Base interactions energy: -15.507 where: short stacking energy: -12.278 Base-Backbone interact. energy: -0.192 local terms energy: -32.245871 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.738 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -3.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -43.837704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.837704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.837704 (E_RNA) where: Base-Base interactions energy: -21.463 where: short stacking energy: -16.257 Base-Backbone interact. energy: -0.008 local terms energy: -22.367364 where: bonds (distance) C4'-P energy: -3.229 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -3.002 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -45.582870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.582870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.582870 (E_RNA) where: Base-Base interactions energy: -20.131 where: short stacking energy: -20.131 Base-Backbone interact. energy: -0.003 local terms energy: -25.449096 where: bonds (distance) C4'-P energy: -8.043 bonds (distance) P-C4' energy: -4.652 flat angles C4'-P-C4' energy: -6.003 flat angles P-C4'-P energy: -1.900 tors. eta vs tors. theta energy: -4.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -42.949900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.949900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.949900 (E_RNA) where: Base-Base interactions energy: -18.435 where: short stacking energy: -18.435 Base-Backbone interact. energy: -0.009 local terms energy: -24.506121 where: bonds (distance) C4'-P energy: -2.664 bonds (distance) P-C4' energy: -6.450 flat angles C4'-P-C4' energy: -4.474 flat angles P-C4'-P energy: -6.785 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -38.133210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.133210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.133210 (E_RNA) where: Base-Base interactions energy: -12.629 where: short stacking energy: -12.629 Base-Backbone interact. energy: -0.004 local terms energy: -25.500344 where: bonds (distance) C4'-P energy: -5.075 bonds (distance) P-C4' energy: -6.202 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -5.846 tors. eta vs tors. theta energy: -0.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -70.991666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.991666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.991666 (E_RNA) where: Base-Base interactions energy: -41.633 where: short stacking energy: -24.560 Base-Backbone interact. energy: -0.001 local terms energy: -29.357828 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -6.582 flat angles C4'-P-C4' energy: -8.057 flat angles P-C4'-P energy: -4.802 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: 2, replica: 3 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -64.045296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.045296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.045296 (E_RNA) where: Base-Base interactions energy: -23.771 where: short stacking energy: -23.771 Base-Backbone interact. energy: -0.000 local terms energy: -40.274191 where: bonds (distance) C4'-P energy: -7.870 bonds (distance) P-C4' energy: -7.757 flat angles C4'-P-C4' energy: -8.283 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -10.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -63.852681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.852681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.852681 (E_RNA) where: Base-Base interactions energy: -28.963 where: short stacking energy: -28.963 Base-Backbone interact. energy: -0.000 local terms energy: -34.889876 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -9.124 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -2.875 tors. eta vs tors. theta energy: -8.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -57.519898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.519898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.519898 (E_RNA) where: Base-Base interactions energy: -24.645 where: short stacking energy: -24.054 Base-Backbone interact. energy: -0.001 local terms energy: -32.874300 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -8.183 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -3.830 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: 5, replica: 8 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -48.653201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.653201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.653201 (E_RNA) where: Base-Base interactions energy: -17.978 where: short stacking energy: -17.978 Base-Backbone interact. energy: -0.000 local terms energy: -30.675111 where: bonds (distance) C4'-P energy: -5.605 bonds (distance) P-C4' energy: -8.023 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -3.227 tors. eta vs tors. theta energy: -5.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -48.868108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.868108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.868108 (E_RNA) where: Base-Base interactions energy: -21.058 where: short stacking energy: -21.058 Base-Backbone interact. energy: -0.504 local terms energy: -27.306575 where: bonds (distance) C4'-P energy: -6.089 bonds (distance) P-C4' energy: -4.628 flat angles C4'-P-C4' energy: -8.322 flat angles P-C4'-P energy: -6.557 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -49.117965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.117965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.117965 (E_RNA) where: Base-Base interactions energy: -22.713 where: short stacking energy: -18.391 Base-Backbone interact. energy: 0.070 local terms energy: -26.475243 where: bonds (distance) C4'-P energy: -5.804 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -5.723 flat angles P-C4'-P energy: -4.557 tors. eta vs tors. theta energy: -2.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -46.652920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.652920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.652920 (E_RNA) where: Base-Base interactions energy: -23.059 where: short stacking energy: -23.059 Base-Backbone interact. energy: -0.019 local terms energy: -23.574749 where: bonds (distance) C4'-P energy: -4.119 bonds (distance) P-C4' energy: -5.236 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -4.122 tors. eta vs tors. theta energy: -4.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -44.983680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.983680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.983680 (E_RNA) where: Base-Base interactions energy: -16.652 where: short stacking energy: -16.652 Base-Backbone interact. energy: -0.017 local terms energy: -28.314963 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -5.693 flat angles C4'-P-C4' energy: -4.615 flat angles P-C4'-P energy: -4.762 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: 10, replica: 1 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -45.540535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.540535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.540535 (E_RNA) where: Base-Base interactions energy: -14.840 where: short stacking energy: -14.791 Base-Backbone interact. energy: -0.005 local terms energy: -30.695530 where: bonds (distance) C4'-P energy: -3.755 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.693 flat angles P-C4'-P energy: -5.945 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: 1, replica: 3 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -72.786349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.786349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.786349 (E_RNA) where: Base-Base interactions energy: -36.641 where: short stacking energy: -29.953 Base-Backbone interact. energy: -0.000 local terms energy: -36.145069 where: bonds (distance) C4'-P energy: -6.752 bonds (distance) P-C4' energy: -8.126 flat angles C4'-P-C4' energy: -8.502 flat angles P-C4'-P energy: -4.944 tors. eta vs tors. theta energy: -7.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -72.174359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.174359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.174359 (E_RNA) where: Base-Base interactions energy: -34.166 where: short stacking energy: -26.065 Base-Backbone interact. energy: 0.713 local terms energy: -38.721859 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.453 flat angles P-C4'-P energy: -7.272 tors. eta vs tors. theta energy: -5.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -59.439605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.439605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.439605 (E_RNA) where: Base-Base interactions energy: -24.651 where: short stacking energy: -24.048 Base-Backbone interact. energy: -0.005 local terms energy: -34.784007 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.740 flat angles P-C4'-P energy: -4.487 tors. eta vs tors. theta energy: -7.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -56.690039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.690039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.690039 (E_RNA) where: Base-Base interactions energy: -23.111 where: short stacking energy: -23.111 Base-Backbone interact. energy: -0.084 local terms energy: -33.494639 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -6.429 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -5.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -58.659823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.659823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.659823 (E_RNA) where: Base-Base interactions energy: -25.790 where: short stacking energy: -25.790 Base-Backbone interact. energy: -0.000 local terms energy: -32.869950 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -6.842 flat angles P-C4'-P energy: -3.777 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: 7 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -44.201184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.201184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.201184 (E_RNA) where: Base-Base interactions energy: -17.625 where: short stacking energy: -17.625 Base-Backbone interact. energy: -0.066 local terms energy: -26.510233 where: bonds (distance) C4'-P energy: -8.805 bonds (distance) P-C4' energy: -2.464 flat angles C4'-P-C4' energy: -4.491 flat angles P-C4'-P energy: -5.073 tors. eta vs tors. theta energy: -5.677 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: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -50.838021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.838021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.838021 (E_RNA) where: Base-Base interactions energy: -21.171 where: short stacking energy: -21.171 Base-Backbone interact. energy: -0.001 local terms energy: -29.666148 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.618 flat angles C4'-P-C4' energy: -8.678 flat angles P-C4'-P energy: -2.533 tors. eta vs tors. theta energy: -4.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -47.668080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.668080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.668080 (E_RNA) where: Base-Base interactions energy: -21.827 where: short stacking energy: -20.526 Base-Backbone interact. energy: -0.006 local terms energy: -25.835572 where: bonds (distance) C4'-P energy: -3.787 bonds (distance) P-C4' energy: -8.863 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -1.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -41.438204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.438204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.438204 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -18.381 Base-Backbone interact. energy: -0.006 local terms energy: -23.051158 where: bonds (distance) C4'-P energy: -3.916 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -4.331 flat angles P-C4'-P energy: -2.452 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -41.982620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.982620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.982620 (E_RNA) where: Base-Base interactions energy: -20.724 where: short stacking energy: -20.724 Base-Backbone interact. energy: -0.076 local terms energy: -21.182368 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -6.646 flat angles C4'-P-C4' energy: -4.324 flat angles P-C4'-P energy: -1.082 tors. eta vs tors. theta energy: -2.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -76.470274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.470274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.470274 (E_RNA) where: Base-Base interactions energy: -36.114 where: short stacking energy: -35.832 Base-Backbone interact. energy: -0.000 local terms energy: -40.355982 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.030 flat angles C4'-P-C4' energy: -9.162 flat angles P-C4'-P energy: -5.157 tors. eta vs tors. theta energy: -10.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -64.615478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.615478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.615478 (E_RNA) where: Base-Base interactions energy: -33.598 where: short stacking energy: -23.434 Base-Backbone interact. energy: -0.036 local terms energy: -30.980791 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -7.520 flat angles C4'-P-C4' energy: -5.371 flat angles P-C4'-P energy: -6.636 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: 3, replica: 6 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -64.784007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.784007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.784007 (E_RNA) where: Base-Base interactions energy: -25.947 where: short stacking energy: -25.947 Base-Backbone interact. energy: -0.001 local terms energy: -38.836020 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -9.546 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -66.596207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.596207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.596207 (E_RNA) where: Base-Base interactions energy: -31.033 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.077 local terms energy: -35.485549 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.085 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -7.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -58.421179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.421179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.421179 (E_RNA) where: Base-Base interactions energy: -22.499 where: short stacking energy: -22.499 Base-Backbone interact. energy: -0.005 local terms energy: -35.916993 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -6.378 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: 6, replica: 2 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -43.010836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.010836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.010836 (E_RNA) where: Base-Base interactions energy: -11.318 where: short stacking energy: -11.318 Base-Backbone interact. energy: -0.481 local terms energy: -31.212024 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.664 flat angles P-C4'-P energy: -5.759 tors. eta vs tors. theta energy: -2.404 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: 7 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -58.140778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.140778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.140778 (E_RNA) where: Base-Base interactions energy: -23.803 where: short stacking energy: -20.912 Base-Backbone interact. energy: -0.001 local terms energy: -34.337516 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -5.231 flat angles P-C4'-P energy: -5.309 tors. eta vs tors. theta energy: -6.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -52.519789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.519789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.519789 (E_RNA) where: Base-Base interactions energy: -23.914 where: short stacking energy: -16.995 Base-Backbone interact. energy: -0.094 local terms energy: -28.511065 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.076 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.688 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -42.879962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.879962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.879962 (E_RNA) where: Base-Base interactions energy: -11.209 where: short stacking energy: -11.209 Base-Backbone interact. energy: -0.025 local terms energy: -31.645545 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.278 flat angles P-C4'-P energy: -4.304 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: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -46.302759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.302759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.302759 (E_RNA) where: Base-Base interactions energy: -18.993 where: short stacking energy: -18.993 Base-Backbone interact. energy: 0.158 local terms energy: -27.467882 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -6.025 flat angles P-C4'-P energy: -2.154 tors. eta vs tors. theta energy: -3.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -74.458919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.458919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.458919 (E_RNA) where: Base-Base interactions energy: -36.819 where: short stacking energy: -30.835 Base-Backbone interact. energy: -0.000 local terms energy: -37.639508 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -7.245 flat angles C4'-P-C4' energy: -7.332 flat angles P-C4'-P energy: -4.783 tors. eta vs tors. theta energy: -10.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -64.626553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.626553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.626553 (E_RNA) where: Base-Base interactions energy: -30.211 where: short stacking energy: -30.211 Base-Backbone interact. energy: -0.000 local terms energy: -34.415787 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -8.888 flat angles C4'-P-C4' energy: -6.112 flat angles P-C4'-P energy: -5.996 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: 3, replica: 8 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -72.280708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.280708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.280708 (E_RNA) where: Base-Base interactions energy: -42.058 where: short stacking energy: -16.979 Base-Backbone interact. energy: -0.782 local terms energy: -29.440518 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -8.724 flat angles P-C4'-P energy: -2.542 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: 4, replica: 6 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -49.767764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.767764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.767764 (E_RNA) where: Base-Base interactions energy: -19.699 where: short stacking energy: -15.008 Base-Backbone interact. energy: -0.327 local terms energy: -29.741927 where: bonds (distance) C4'-P energy: -6.475 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -4.430 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -61.020848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.020848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.020848 (E_RNA) where: Base-Base interactions energy: -30.921 where: short stacking energy: -24.469 Base-Backbone interact. energy: -0.005 local terms energy: -30.094425 where: bonds (distance) C4'-P energy: -6.036 bonds (distance) P-C4' energy: -4.850 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -5.129 tors. eta vs tors. theta energy: -7.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -44.873338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.873338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.873338 (E_RNA) where: Base-Base interactions energy: -15.440 where: short stacking energy: -15.440 Base-Backbone interact. energy: -0.010 local terms energy: -29.423508 where: bonds (distance) C4'-P energy: -7.729 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -4.947 tors. eta vs tors. theta energy: -2.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -42.329382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.329382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.329382 (E_RNA) where: Base-Base interactions energy: -11.461 where: short stacking energy: -9.936 Base-Backbone interact. energy: -0.068 local terms energy: -30.799589 where: bonds (distance) C4'-P energy: -5.596 bonds (distance) P-C4' energy: -7.802 flat angles C4'-P-C4' energy: -7.524 flat angles P-C4'-P energy: -6.500 tors. eta vs tors. theta energy: -3.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -53.711928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.711928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.711928 (E_RNA) where: Base-Base interactions energy: -28.737 where: short stacking energy: -21.742 Base-Backbone interact. energy: -0.012 local terms energy: -24.963267 where: bonds (distance) C4'-P energy: -5.424 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -6.403 flat angles P-C4'-P energy: -4.006 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: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -47.787013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.787013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.787013 (E_RNA) where: Base-Base interactions energy: -20.812 where: short stacking energy: -20.812 Base-Backbone interact. energy: -0.009 local terms energy: -26.965765 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -3.100 flat angles P-C4'-P energy: -6.124 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: 10, replica: 4 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -40.974804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.974804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.974804 (E_RNA) where: Base-Base interactions energy: -15.077 where: short stacking energy: -11.903 Base-Backbone interact. energy: -0.987 local terms energy: -24.910855 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -6.621 flat angles C4'-P-C4' energy: -5.294 flat angles P-C4'-P energy: -5.706 tors. eta vs tors. theta energy: 0.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -69.449977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.449977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.449977 (E_RNA) where: Base-Base interactions energy: -31.470 where: short stacking energy: -21.662 Base-Backbone interact. energy: -0.000 local terms energy: -37.979965 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -6.030 flat angles P-C4'-P energy: -4.894 tors. eta vs tors. theta energy: -9.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -71.796454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.796454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.796454 (E_RNA) where: Base-Base interactions energy: -35.183 where: short stacking energy: -22.552 Base-Backbone interact. energy: -0.023 local terms energy: -36.590735 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.484 flat angles P-C4'-P energy: -5.548 tors. eta vs tors. theta energy: -5.470 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: 9 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -48.799448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.799448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.799448 (E_RNA) where: Base-Base interactions energy: -19.698 where: short stacking energy: -19.698 Base-Backbone interact. energy: -0.018 local terms energy: -29.083442 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -5.266 flat angles C4'-P-C4' energy: -7.251 flat angles P-C4'-P energy: -7.204 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: 4, replica: 2 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -64.714021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.714021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.714021 (E_RNA) where: Base-Base interactions energy: -33.836 where: short stacking energy: -14.017 Base-Backbone interact. energy: -0.039 local terms energy: -30.838565 where: bonds (distance) C4'-P energy: -7.074 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.613 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -2.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -52.372569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.372569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.372569 (E_RNA) where: Base-Base interactions energy: -20.304 where: short stacking energy: -20.304 Base-Backbone interact. energy: -0.039 local terms energy: -32.029608 where: bonds (distance) C4'-P energy: -4.554 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -7.774 flat angles P-C4'-P energy: -5.812 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: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -55.673656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.673656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.673656 (E_RNA) where: Base-Base interactions energy: -29.680 where: short stacking energy: -25.076 Base-Backbone interact. energy: 0.428 local terms energy: -26.422368 where: bonds (distance) C4'-P energy: -4.073 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.013 flat angles P-C4'-P energy: -3.955 tors. eta vs tors. theta energy: -3.523 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -47.728814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.728814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.728814 (E_RNA) where: Base-Base interactions energy: -19.352 where: short stacking energy: -15.134 Base-Backbone interact. energy: -0.163 local terms energy: -28.213752 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.669 flat angles P-C4'-P energy: -4.630 tors. eta vs tors. theta energy: -2.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -42.658457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.658457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.658457 (E_RNA) where: Base-Base interactions energy: -14.953 where: short stacking energy: -14.617 Base-Backbone interact. energy: -0.001 local terms energy: -27.704968 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.155 flat angles P-C4'-P energy: -3.658 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: 9, replica: 7 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -44.658313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.658313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.658313 (E_RNA) where: Base-Base interactions energy: -15.729 where: short stacking energy: -15.729 Base-Backbone interact. energy: -0.001 local terms energy: -28.927456 where: bonds (distance) C4'-P energy: -7.174 bonds (distance) P-C4' energy: -5.251 flat angles C4'-P-C4' energy: -8.151 flat angles P-C4'-P energy: -3.249 tors. eta vs tors. theta energy: -5.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -51.820658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.820658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.820658 (E_RNA) where: Base-Base interactions energy: -22.040 where: short stacking energy: -20.989 Base-Backbone interact. energy: -0.000 local terms energy: -29.780090 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -6.777 flat angles P-C4'-P energy: -6.677 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: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -78.052484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.052484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.052484 (E_RNA) where: Base-Base interactions energy: -40.593 where: short stacking energy: -26.873 Base-Backbone interact. energy: -0.005 local terms energy: -37.454976 where: bonds (distance) C4'-P energy: -6.813 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -7.682 flat angles P-C4'-P energy: -5.803 tors. eta vs tors. theta energy: -8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -66.305810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.305810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.305810 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -27.530 Base-Backbone interact. energy: -0.840 local terms energy: -35.915102 where: bonds (distance) C4'-P energy: -8.549 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.618 flat angles P-C4'-P energy: -5.877 tors. eta vs tors. theta energy: -6.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -53.200433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.200433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.200433 (E_RNA) where: Base-Base interactions energy: -23.552 where: short stacking energy: -11.292 Base-Backbone interact. energy: 0.194 local terms energy: -29.842732 where: bonds (distance) C4'-P energy: -6.780 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -7.618 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -1.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -60.345347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.345347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.345347 (E_RNA) where: Base-Base interactions energy: -25.497 where: short stacking energy: -25.497 Base-Backbone interact. energy: -0.000 local terms energy: -34.848130 where: bonds (distance) C4'-P energy: -8.209 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -9.033 flat angles P-C4'-P energy: -2.562 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: 5, replica: 1 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -61.078607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.078607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.078607 (E_RNA) where: Base-Base interactions energy: -33.093 where: short stacking energy: -20.867 Base-Backbone interact. energy: -1.007 local terms energy: -26.978755 where: bonds (distance) C4'-P energy: -6.693 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -4.421 flat angles P-C4'-P energy: -4.084 tors. eta vs tors. theta energy: -4.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -53.430022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.430022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.430022 (E_RNA) where: Base-Base interactions energy: -22.501 where: short stacking energy: -22.501 Base-Backbone interact. energy: -0.008 local terms energy: -30.921000 where: bonds (distance) C4'-P energy: -5.672 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -6.694 flat angles P-C4'-P energy: -5.831 tors. eta vs tors. theta energy: -4.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -43.009322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.009322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.009322 (E_RNA) where: Base-Base interactions energy: -18.762 where: short stacking energy: -18.384 Base-Backbone interact. energy: -0.006 local terms energy: -24.241077 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -6.693 flat angles P-C4'-P energy: -0.801 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: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -50.319462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.319462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.319462 (E_RNA) where: Base-Base interactions energy: -20.445 where: short stacking energy: -20.445 Base-Backbone interact. energy: -0.015 local terms energy: -29.859225 where: bonds (distance) C4'-P energy: -5.821 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -6.484 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: 9, replica: 4 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -43.703573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.703573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.703573 (E_RNA) where: Base-Base interactions energy: -12.649 where: short stacking energy: -12.649 Base-Backbone interact. energy: 1.210 local terms energy: -32.264902 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -7.684 flat angles C4'-P-C4' energy: -7.836 flat angles P-C4'-P energy: -6.954 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: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -40.630902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.630902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.630902 (E_RNA) where: Base-Base interactions energy: -12.537 where: short stacking energy: -12.482 Base-Backbone interact. energy: -0.125 local terms energy: -27.967998 where: bonds (distance) C4'-P energy: -6.929 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.302 flat angles P-C4'-P energy: -3.857 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: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -64.016810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.016810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.016810 (E_RNA) where: Base-Base interactions energy: -29.073 where: short stacking energy: -23.055 Base-Backbone interact. energy: -0.000 local terms energy: -34.943666 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.359 flat angles C4'-P-C4' energy: -7.080 flat angles P-C4'-P energy: -6.221 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: 2, replica: 3 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -67.904963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.904963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.904963 (E_RNA) where: Base-Base interactions energy: -29.185 where: short stacking energy: -28.336 Base-Backbone interact. energy: -0.137 local terms energy: -38.583146 where: bonds (distance) C4'-P energy: -8.904 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.543 flat angles P-C4'-P energy: -3.297 tors. eta vs tors. theta energy: -9.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -60.631798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.631798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.631798 (E_RNA) where: Base-Base interactions energy: -23.638 where: short stacking energy: -23.638 Base-Backbone interact. energy: -0.000 local terms energy: -36.993804 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -5.970 tors. eta vs tors. theta energy: -6.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -51.969440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.969440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.969440 (E_RNA) where: Base-Base interactions energy: -19.677 where: short stacking energy: -16.382 Base-Backbone interact. energy: -0.000 local terms energy: -32.292172 where: bonds (distance) C4'-P energy: -7.808 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -8.232 flat angles P-C4'-P energy: -6.071 tors. eta vs tors. theta energy: -1.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -53.209686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.209686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.209686 (E_RNA) where: Base-Base interactions energy: -19.913 where: short stacking energy: -19.207 Base-Backbone interact. energy: -0.001 local terms energy: -33.295229 where: bonds (distance) C4'-P energy: -8.466 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.720 flat angles P-C4'-P energy: -5.518 tors. eta vs tors. theta energy: -3.958 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: 6 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -51.960182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.960182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.960182 (E_RNA) where: Base-Base interactions energy: -21.928 where: short stacking energy: -20.202 Base-Backbone interact. energy: -0.000 local terms energy: -30.031967 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -5.836 flat angles P-C4'-P energy: -5.072 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: 7, replica: 10 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -56.727602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.727602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.727602 (E_RNA) where: Base-Base interactions energy: -23.380 where: short stacking energy: -23.380 Base-Backbone interact. energy: -0.002 local terms energy: -33.346003 where: bonds (distance) C4'-P energy: -7.302 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.532 flat angles P-C4'-P energy: -2.625 tors. eta vs tors. theta energy: -6.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -46.593241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.593241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.593241 (E_RNA) where: Base-Base interactions energy: -20.189 where: short stacking energy: -16.985 Base-Backbone interact. energy: -0.057 local terms energy: -26.347111 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.262 flat angles P-C4'-P energy: -1.828 tors. eta vs tors. theta energy: -0.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -46.572416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.572416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.572416 (E_RNA) where: Base-Base interactions energy: -18.014 where: short stacking energy: -10.450 Base-Backbone interact. energy: -0.475 local terms energy: -28.083365 where: bonds (distance) C4'-P energy: -7.154 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.914 flat angles P-C4'-P energy: -4.291 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -43.456659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.456659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.456659 (E_RNA) where: Base-Base interactions energy: -18.052 where: short stacking energy: -14.276 Base-Backbone interact. energy: -0.127 local terms energy: -25.277289 where: bonds (distance) C4'-P energy: -4.484 bonds (distance) P-C4' energy: -6.343 flat angles C4'-P-C4' energy: -7.537 flat angles P-C4'-P energy: -5.165 tors. eta vs tors. theta energy: -1.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -68.539051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.539051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.539051 (E_RNA) where: Base-Base interactions energy: -30.395 where: short stacking energy: -22.833 Base-Backbone interact. energy: -0.000 local terms energy: -38.143580 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.193 flat angles C4'-P-C4' energy: -6.350 flat angles P-C4'-P energy: -6.848 tors. eta vs tors. theta energy: -9.117 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -60.433508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.433508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.433508 (E_RNA) where: Base-Base interactions energy: -31.009 where: short stacking energy: -13.665 Base-Backbone interact. energy: -0.298 local terms energy: -29.126882 where: bonds (distance) C4'-P energy: -8.681 bonds (distance) P-C4' energy: -7.432 flat angles C4'-P-C4' energy: -6.018 flat angles P-C4'-P energy: -4.444 tors. eta vs tors. theta energy: -2.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -53.233562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.233562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.233562 (E_RNA) where: Base-Base interactions energy: -26.848 where: short stacking energy: -22.221 Base-Backbone interact. energy: 0.463 local terms energy: -26.849078 where: bonds (distance) C4'-P energy: -6.383 bonds (distance) P-C4' energy: -6.734 flat angles C4'-P-C4' energy: -5.824 flat angles P-C4'-P energy: -6.104 tors. eta vs tors. theta energy: -1.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -55.346947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.346947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.346947 (E_RNA) where: Base-Base interactions energy: -23.030 where: short stacking energy: -23.030 Base-Backbone interact. energy: -0.021 local terms energy: -32.295917 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -5.376 flat angles P-C4'-P energy: -3.833 tors. eta vs tors. theta energy: -6.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -51.334539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.334539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.334539 (E_RNA) where: Base-Base interactions energy: -17.606 where: short stacking energy: -15.457 Base-Backbone interact. energy: -0.098 local terms energy: -33.630317 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -7.245 flat angles P-C4'-P energy: -4.340 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: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -55.736671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.736671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.736671 (E_RNA) where: Base-Base interactions energy: -29.094 where: short stacking energy: -29.094 Base-Backbone interact. energy: -0.002 local terms energy: -26.640471 where: bonds (distance) C4'-P energy: -5.882 bonds (distance) P-C4' energy: -7.484 flat angles C4'-P-C4' energy: -6.060 flat angles P-C4'-P energy: -1.118 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -44.744748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.744748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.744748 (E_RNA) where: Base-Base interactions energy: -14.067 where: short stacking energy: -14.067 Base-Backbone interact. energy: -0.008 local terms energy: -30.669263 where: bonds (distance) C4'-P energy: -7.518 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.534 flat angles P-C4'-P energy: -6.642 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: 8, replica: 10 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -46.073707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.073707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.073707 (E_RNA) where: Base-Base interactions energy: -16.840 where: short stacking energy: -15.461 Base-Backbone interact. energy: -0.090 local terms energy: -29.143370 where: bonds (distance) C4'-P energy: -5.871 bonds (distance) P-C4' energy: -6.361 flat angles C4'-P-C4' energy: -8.284 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -2.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -45.878868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.878868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.878868 (E_RNA) where: Base-Base interactions energy: -20.121 where: short stacking energy: -14.727 Base-Backbone interact. energy: 0.291 local terms energy: -26.049034 where: bonds (distance) C4'-P energy: -6.338 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -4.670 tors. eta vs tors. theta energy: -2.686 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: 448 Temperature: 1.350000 Total energy: -40.236594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.236594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.236594 (E_RNA) where: Base-Base interactions energy: -19.484 where: short stacking energy: -9.590 Base-Backbone interact. energy: 0.802 local terms energy: -21.554180 where: bonds (distance) C4'-P energy: -3.862 bonds (distance) P-C4' energy: -5.926 flat angles C4'-P-C4' energy: -6.919 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: 0.692 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: 3 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -72.984449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.984449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.984449 (E_RNA) where: Base-Base interactions energy: -36.055 where: short stacking energy: -29.052 Base-Backbone interact. energy: -0.000 local terms energy: -36.928872 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -7.696 flat angles C4'-P-C4' energy: -8.099 flat angles P-C4'-P energy: -3.146 tors. eta vs tors. theta energy: -10.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -61.082358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.082358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.082358 (E_RNA) where: Base-Base interactions energy: -28.842 where: short stacking energy: -22.898 Base-Backbone interact. energy: -0.099 local terms energy: -32.141492 where: bonds (distance) C4'-P energy: -7.134 bonds (distance) P-C4' energy: -8.618 flat angles C4'-P-C4' energy: -5.046 flat angles P-C4'-P energy: -7.727 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: 3, replica: 2 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -56.809732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.809732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.809732 (E_RNA) where: Base-Base interactions energy: -23.766 where: short stacking energy: -23.766 Base-Backbone interact. energy: -0.021 local terms energy: -33.022948 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -8.647 flat angles C4'-P-C4' energy: -6.849 flat angles P-C4'-P energy: -5.096 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: 4, replica: 9 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -55.679899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.679899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.679899 (E_RNA) where: Base-Base interactions energy: -23.468 where: short stacking energy: -23.468 Base-Backbone interact. energy: -0.000 local terms energy: -32.211947 where: bonds (distance) C4'-P energy: -6.131 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -5.835 flat angles P-C4'-P energy: -4.965 tors. eta vs tors. theta energy: -6.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -56.780608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.780608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.780608 (E_RNA) where: Base-Base interactions energy: -23.733 where: short stacking energy: -23.733 Base-Backbone interact. energy: -0.001 local terms energy: -33.047287 where: bonds (distance) C4'-P energy: -6.508 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.304 flat angles P-C4'-P energy: -6.107 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: 6, replica: 4 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -56.072093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.072093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.072093 (E_RNA) where: Base-Base interactions energy: -20.723 where: short stacking energy: -20.723 Base-Backbone interact. energy: -0.008 local terms energy: -35.340972 where: bonds (distance) C4'-P energy: -6.247 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -7.776 flat angles P-C4'-P energy: -5.684 tors. eta vs tors. theta energy: -7.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -47.479092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.479092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.479092 (E_RNA) where: Base-Base interactions energy: -19.629 where: short stacking energy: -19.629 Base-Backbone interact. energy: -0.000 local terms energy: -27.850147 where: bonds (distance) C4'-P energy: -6.827 bonds (distance) P-C4' energy: -7.824 flat angles C4'-P-C4' energy: -6.630 flat angles P-C4'-P energy: -3.542 tors. eta vs tors. theta energy: -3.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -38.749960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.749960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.749960 (E_RNA) where: Base-Base interactions energy: -10.822 where: short stacking energy: -8.819 Base-Backbone interact. energy: 0.985 local terms energy: -28.912790 where: bonds (distance) C4'-P energy: -6.486 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -6.940 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: 9, replica: 10 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -42.262705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.262705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.262705 (E_RNA) where: Base-Base interactions energy: -14.849 where: short stacking energy: -14.815 Base-Backbone interact. energy: -0.109 local terms energy: -27.304465 where: bonds (distance) C4'-P energy: -7.206 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -4.194 flat angles P-C4'-P energy: -4.194 tors. eta vs tors. theta energy: -2.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -39.623555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.623555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.623555 (E_RNA) where: Base-Base interactions energy: -10.077 where: short stacking energy: -10.077 Base-Backbone interact. energy: 0.390 local terms energy: -29.936745 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -8.891 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -3.633 tors. eta vs tors. theta energy: -1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -59.031326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.031326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.031326 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -21.998 Base-Backbone interact. energy: -0.004 local terms energy: -37.029312 where: bonds (distance) C4'-P energy: -7.438 bonds (distance) P-C4' energy: -8.799 flat angles C4'-P-C4' energy: -8.307 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -6.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -75.100676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.100676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.100676 (E_RNA) where: Base-Base interactions energy: -40.377 where: short stacking energy: -28.443 Base-Backbone interact. energy: -0.004 local terms energy: -34.718799 where: bonds (distance) C4'-P energy: -8.172 bonds (distance) P-C4' energy: -8.547 flat angles C4'-P-C4' energy: -6.908 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -6.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -60.516051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.516051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.516051 (E_RNA) where: Base-Base interactions energy: -24.785 where: short stacking energy: -24.785 Base-Backbone interact. energy: -0.003 local terms energy: -35.728151 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -8.625 flat angles C4'-P-C4' energy: -8.228 flat angles P-C4'-P energy: -5.569 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: 4, replica: 2 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -57.302867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.302867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.302867 (E_RNA) where: Base-Base interactions energy: -26.119 where: short stacking energy: -9.249 Base-Backbone interact. energy: 0.135 local terms energy: -31.318768 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -8.680 flat angles P-C4'-P energy: -5.646 tors. eta vs tors. theta energy: -2.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -50.737456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.737456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.737456 (E_RNA) where: Base-Base interactions energy: -18.766 where: short stacking energy: -18.766 Base-Backbone interact. energy: -0.001 local terms energy: -31.970221 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.554 flat angles P-C4'-P energy: -4.908 tors. eta vs tors. theta energy: -3.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -57.701028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.701028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.701028 (E_RNA) where: Base-Base interactions energy: -23.410 where: short stacking energy: -23.410 Base-Backbone interact. energy: -0.002 local terms energy: -34.288614 where: bonds (distance) C4'-P energy: -5.695 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -4.731 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: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -51.073713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.073713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.073713 (E_RNA) where: Base-Base interactions energy: -20.691 where: short stacking energy: -20.691 Base-Backbone interact. energy: -0.001 local terms energy: -30.381522 where: bonds (distance) C4'-P energy: -5.928 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -3.864 flat angles P-C4'-P energy: -4.932 tors. eta vs tors. theta energy: -6.336 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: 8, replica: 6 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -47.644062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.644062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.644062 (E_RNA) where: Base-Base interactions energy: -16.839 where: short stacking energy: -12.754 Base-Backbone interact. energy: -0.263 local terms energy: -30.542412 where: bonds (distance) C4'-P energy: -7.948 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -2.310 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: 7 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -50.652704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.652704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.652704 (E_RNA) where: Base-Base interactions energy: -19.610 where: short stacking energy: -18.553 Base-Backbone interact. energy: -0.000 local terms energy: -31.042467 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -6.086 flat angles P-C4'-P energy: -2.716 tors. eta vs tors. theta energy: -4.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -39.303935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.303935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.303935 (E_RNA) where: Base-Base interactions energy: -10.514 where: short stacking energy: -8.305 Base-Backbone interact. energy: -0.009 local terms energy: -28.781563 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -7.336 flat angles C4'-P-C4' energy: -5.488 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -2.528 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: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -74.147947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.147947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.147947 (E_RNA) where: Base-Base interactions energy: -34.296 where: short stacking energy: -34.296 Base-Backbone interact. energy: -0.000 local terms energy: -39.852350 where: bonds (distance) C4'-P energy: -7.476 bonds (distance) P-C4' energy: -5.741 flat angles C4'-P-C4' energy: -8.972 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -11.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -71.111260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.111260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.111260 (E_RNA) where: Base-Base interactions energy: -39.339 where: short stacking energy: -23.462 Base-Backbone interact. energy: -0.050 local terms energy: -31.722380 where: bonds (distance) C4'-P energy: -6.457 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -7.681 flat angles P-C4'-P energy: -4.530 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: 3, replica: 3 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -71.150613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.150613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.150613 (E_RNA) where: Base-Base interactions energy: -38.105 where: short stacking energy: -26.250 Base-Backbone interact. energy: -0.000 local terms energy: -33.045800 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -9.821 flat angles C4'-P-C4' energy: -6.766 flat angles P-C4'-P energy: -4.334 tors. eta vs tors. theta energy: -5.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -58.552813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.552813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.552813 (E_RNA) where: Base-Base interactions energy: -24.752 where: short stacking energy: -24.752 Base-Backbone interact. energy: -0.000 local terms energy: -33.800613 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.483 flat angles P-C4'-P energy: -4.191 tors. eta vs tors. theta energy: -5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -56.965827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.965827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.965827 (E_RNA) where: Base-Base interactions energy: -21.204 where: short stacking energy: -21.204 Base-Backbone interact. energy: -0.014 local terms energy: -35.747911 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -8.417 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -5.741 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: 5 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -50.000208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.000208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.000208 (E_RNA) where: Base-Base interactions energy: -20.732 where: short stacking energy: -12.952 Base-Backbone interact. energy: -0.181 local terms energy: -29.086873 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -2.994 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -2.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -48.291105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.291105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.291105 (E_RNA) where: Base-Base interactions energy: -18.200 where: short stacking energy: -9.319 Base-Backbone interact. energy: -0.105 local terms energy: -29.986521 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -6.959 flat angles P-C4'-P energy: -5.290 tors. eta vs tors. theta energy: -0.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -49.431805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.431805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.431805 (E_RNA) where: Base-Base interactions energy: -20.196 where: short stacking energy: -20.196 Base-Backbone interact. energy: -0.000 local terms energy: -29.235207 where: bonds (distance) C4'-P energy: -6.615 bonds (distance) P-C4' energy: -8.422 flat angles C4'-P-C4' energy: -4.814 flat angles P-C4'-P energy: -6.545 tors. eta vs tors. theta energy: -2.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -49.328047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.328047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.328047 (E_RNA) where: Base-Base interactions energy: -17.004 where: short stacking energy: -17.004 Base-Backbone interact. energy: -0.181 local terms energy: -32.142827 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -9.116 flat angles C4'-P-C4' energy: -8.110 flat angles P-C4'-P energy: -3.747 tors. eta vs tors. theta energy: -4.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -49.659217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.659217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.659217 (E_RNA) where: Base-Base interactions energy: -21.105 where: short stacking energy: -21.105 Base-Backbone interact. energy: -0.016 local terms energy: -28.538164 where: bonds (distance) C4'-P energy: -4.789 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.057 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -4.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -70.349558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.349558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.349558 (E_RNA) where: Base-Base interactions energy: -35.860 where: short stacking energy: -32.741 Base-Backbone interact. energy: -0.003 local terms energy: -34.485814 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.892 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -6.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -73.740500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.740500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.740500 (E_RNA) where: Base-Base interactions energy: -36.993 where: short stacking energy: -23.829 Base-Backbone interact. energy: -0.000 local terms energy: -36.747612 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -7.119 flat angles P-C4'-P energy: -6.072 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: 3, replica: 3 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -60.787001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.787001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.787001 (E_RNA) where: Base-Base interactions energy: -27.884 where: short stacking energy: -27.884 Base-Backbone interact. energy: -0.042 local terms energy: -32.860704 where: bonds (distance) C4'-P energy: -5.057 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.979 flat angles P-C4'-P energy: -4.591 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: 2 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -52.798910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.798910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.798910 (E_RNA) where: Base-Base interactions energy: -24.405 where: short stacking energy: -23.218 Base-Backbone interact. energy: 0.325 local terms energy: -28.718931 where: bonds (distance) C4'-P energy: -7.035 bonds (distance) P-C4' energy: -5.450 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -3.721 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: 5, replica: 5 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -52.602893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.602893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.602893 (E_RNA) where: Base-Base interactions energy: -21.503 where: short stacking energy: -21.603 Base-Backbone interact. energy: -0.101 local terms energy: -30.999117 where: bonds (distance) C4'-P energy: -7.676 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -6.423 flat angles P-C4'-P energy: -2.065 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -53.987260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.987260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.987260 (E_RNA) where: Base-Base interactions energy: -19.957 where: short stacking energy: -19.957 Base-Backbone interact. energy: -0.099 local terms energy: -33.931194 where: bonds (distance) C4'-P energy: -6.283 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -6.609 flat angles P-C4'-P energy: -7.276 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: 7 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -45.724319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.724319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.724319 (E_RNA) where: Base-Base interactions energy: -17.810 where: short stacking energy: -10.352 Base-Backbone interact. energy: -0.140 local terms energy: -27.774316 where: bonds (distance) C4'-P energy: -5.009 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -8.239 flat angles P-C4'-P energy: -4.929 tors. eta vs tors. theta energy: -0.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -49.340420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.340420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.340420 (E_RNA) where: Base-Base interactions energy: -20.621 where: short stacking energy: -17.882 Base-Backbone interact. energy: -0.010 local terms energy: -28.709616 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.173 flat angles P-C4'-P energy: -2.048 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: 9, replica: 10 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -40.637011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.637011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.637011 (E_RNA) where: Base-Base interactions energy: -18.239 where: short stacking energy: -18.239 Base-Backbone interact. energy: -0.019 local terms energy: -22.379250 where: bonds (distance) C4'-P energy: -7.414 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -7.315 flat angles P-C4'-P energy: -1.770 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: 6 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -37.383687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.383687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.383687 (E_RNA) where: Base-Base interactions energy: -11.038 where: short stacking energy: -4.098 Base-Backbone interact. energy: -0.154 local terms energy: -26.191569 where: bonds (distance) C4'-P energy: -3.211 bonds (distance) P-C4' energy: -8.447 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -5.022 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: 1, replica: 9 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -73.305291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.305291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.305291 (E_RNA) where: Base-Base interactions energy: -36.183 where: short stacking energy: -31.421 Base-Backbone interact. energy: -0.000 local terms energy: -37.122054 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -8.458 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -8.016 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: 3 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -58.939401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.939401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.939401 (E_RNA) where: Base-Base interactions energy: -25.176 where: short stacking energy: -25.176 Base-Backbone interact. energy: -0.064 local terms energy: -33.698769 where: bonds (distance) C4'-P energy: -8.229 bonds (distance) P-C4' energy: -8.600 flat angles C4'-P-C4' energy: -6.739 flat angles P-C4'-P energy: -4.602 tors. eta vs tors. theta energy: -5.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -57.635559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.635559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.635559 (E_RNA) where: Base-Base interactions energy: -25.847 where: short stacking energy: -25.847 Base-Backbone interact. energy: -0.001 local terms energy: -31.787262 where: bonds (distance) C4'-P energy: -7.348 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.673 flat angles P-C4'-P energy: -2.529 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: 4, replica: 2 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -65.119628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.119628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.119628 (E_RNA) where: Base-Base interactions energy: -31.687 where: short stacking energy: -23.394 Base-Backbone interact. energy: -0.778 local terms energy: -32.654481 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -8.126 flat angles P-C4'-P energy: -3.588 tors. eta vs tors. theta energy: -5.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -47.551861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.551861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.551861 (E_RNA) where: Base-Base interactions energy: -16.394 where: short stacking energy: -16.394 Base-Backbone interact. energy: -0.028 local terms energy: -31.129612 where: bonds (distance) C4'-P energy: -8.031 bonds (distance) P-C4' energy: -7.759 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -2.968 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: 6, replica: 7 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -54.052388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.052388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.052388 (E_RNA) where: Base-Base interactions energy: -19.119 where: short stacking energy: -18.616 Base-Backbone interact. energy: -0.060 local terms energy: -34.874112 where: bonds (distance) C4'-P energy: -7.153 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -9.390 flat angles P-C4'-P energy: -5.495 tors. eta vs tors. theta energy: -3.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -45.284203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.284203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.284203 (E_RNA) where: Base-Base interactions energy: -13.519 where: short stacking energy: -13.519 Base-Backbone interact. energy: -0.100 local terms energy: -31.665243 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -6.397 flat angles P-C4'-P energy: -5.158 tors. eta vs tors. theta energy: -3.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -53.110570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.110570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.110570 (E_RNA) where: Base-Base interactions energy: -31.187 where: short stacking energy: -17.669 Base-Backbone interact. energy: -0.003 local terms energy: -21.920405 where: bonds (distance) C4'-P energy: -5.438 bonds (distance) P-C4' energy: -6.146 flat angles C4'-P-C4' energy: -5.135 flat angles P-C4'-P energy: -0.098 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: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -44.215426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.215426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.215426 (E_RNA) where: Base-Base interactions energy: -15.774 where: short stacking energy: -15.774 Base-Backbone interact. energy: -0.118 local terms energy: -28.324104 where: bonds (distance) C4'-P energy: -7.137 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -3.681 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -2.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -43.657944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.657944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.657944 (E_RNA) where: Base-Base interactions energy: -16.533 where: short stacking energy: -15.938 Base-Backbone interact. energy: -0.055 local terms energy: -27.070295 where: bonds (distance) C4'-P energy: -8.975 bonds (distance) P-C4' energy: -7.266 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -1.353 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: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -64.803191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.803191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.803191 (E_RNA) where: Base-Base interactions energy: -25.869 where: short stacking energy: -25.869 Base-Backbone interact. energy: -0.000 local terms energy: -38.934143 where: bonds (distance) C4'-P energy: -8.201 bonds (distance) P-C4' energy: -7.029 flat angles C4'-P-C4' energy: -8.635 flat angles P-C4'-P energy: -4.338 tors. eta vs tors. theta energy: -10.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -74.953641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.953641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.953641 (E_RNA) where: Base-Base interactions energy: -42.305 where: short stacking energy: -31.176 Base-Backbone interact. energy: -0.008 local terms energy: -32.639939 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -7.198 flat angles C4'-P-C4' energy: -6.943 flat angles P-C4'-P energy: -3.078 tors. eta vs tors. theta energy: -8.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -59.340830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.340830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.340830 (E_RNA) where: Base-Base interactions energy: -20.707 where: short stacking energy: -20.707 Base-Backbone interact. energy: -0.000 local terms energy: -38.633770 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -6.048 flat angles P-C4'-P energy: -6.190 tors. eta vs tors. theta energy: -9.681 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: 8 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -72.820636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.820636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.820636 (E_RNA) where: Base-Base interactions energy: -41.613 where: short stacking energy: -15.741 Base-Backbone interact. energy: -0.146 local terms energy: -31.061784 where: bonds (distance) C4'-P energy: -5.034 bonds (distance) P-C4' energy: -9.338 flat angles C4'-P-C4' energy: -7.961 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -62.107179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.107179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.107179 (E_RNA) where: Base-Base interactions energy: -40.551 where: short stacking energy: -24.676 Base-Backbone interact. energy: -0.048 local terms energy: -21.508146 where: bonds (distance) C4'-P energy: -7.080 bonds (distance) P-C4' energy: -5.638 flat angles C4'-P-C4' energy: -7.646 flat angles P-C4'-P energy: 0.331 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: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -48.884108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.884108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.884108 (E_RNA) where: Base-Base interactions energy: -20.357 where: short stacking energy: -19.327 Base-Backbone interact. energy: -0.081 local terms energy: -28.446846 where: bonds (distance) C4'-P energy: -4.881 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.767 flat angles P-C4'-P energy: -3.807 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -45.965324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.965324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.965324 (E_RNA) where: Base-Base interactions energy: -21.742 where: short stacking energy: -17.428 Base-Backbone interact. energy: -0.149 local terms energy: -24.074935 where: bonds (distance) C4'-P energy: -3.936 bonds (distance) P-C4' energy: -9.299 flat angles C4'-P-C4' energy: -5.875 flat angles P-C4'-P energy: -4.830 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: 8, replica: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -45.539043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.539043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.539043 (E_RNA) where: Base-Base interactions energy: -17.199 where: short stacking energy: -17.199 Base-Backbone interact. energy: -0.254 local terms energy: -28.085446 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -0.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -46.879289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.879289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.879289 (E_RNA) where: Base-Base interactions energy: -15.441 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.028 local terms energy: -31.410502 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.354 flat angles C4'-P-C4' energy: -7.219 flat angles P-C4'-P energy: -5.504 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: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -43.623078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.623078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.623078 (E_RNA) where: Base-Base interactions energy: -18.427 where: short stacking energy: -18.427 Base-Backbone interact. energy: -0.003 local terms energy: -25.193510 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -7.312 flat angles C4'-P-C4' energy: -6.519 flat angles P-C4'-P energy: -2.685 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: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -60.339752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.339752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.339752 (E_RNA) where: Base-Base interactions energy: -28.071 where: short stacking energy: -23.389 Base-Backbone interact. energy: 0.634 local terms energy: -32.902862 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -5.765 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -6.278 tors. eta vs tors. theta energy: -5.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -52.587417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.587417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.587417 (E_RNA) where: Base-Base interactions energy: -25.272 where: short stacking energy: -25.272 Base-Backbone interact. energy: -0.001 local terms energy: -27.314837 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.041 flat angles C4'-P-C4' energy: -6.852 flat angles P-C4'-P energy: -2.758 tors. eta vs tors. theta energy: -2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -58.756651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.756651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.756651 (E_RNA) where: Base-Base interactions energy: -27.656 where: short stacking energy: -23.074 Base-Backbone interact. energy: -0.000 local terms energy: -31.100173 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.328 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -5.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -59.853230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.853230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.853230 (E_RNA) where: Base-Base interactions energy: -32.256 where: short stacking energy: -12.949 Base-Backbone interact. energy: -0.440 local terms energy: -27.157551 where: bonds (distance) C4'-P energy: -5.624 bonds (distance) P-C4' energy: -4.327 flat angles C4'-P-C4' energy: -8.113 flat angles P-C4'-P energy: -5.790 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: 5, replica: 8 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -50.409392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.409392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.409392 (E_RNA) where: Base-Base interactions energy: -21.584 where: short stacking energy: -21.584 Base-Backbone interact. energy: -0.005 local terms energy: -28.820387 where: bonds (distance) C4'-P energy: -6.160 bonds (distance) P-C4' energy: -4.142 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -5.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -41.090559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.090559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.090559 (E_RNA) where: Base-Base interactions energy: -15.941 where: short stacking energy: -13.127 Base-Backbone interact. energy: -0.130 local terms energy: -25.019380 where: bonds (distance) C4'-P energy: -5.704 bonds (distance) P-C4' energy: -7.742 flat angles C4'-P-C4' energy: -5.333 flat angles P-C4'-P energy: -5.963 tors. eta vs tors. theta energy: -0.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -43.535850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.535850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.535850 (E_RNA) where: Base-Base interactions energy: -24.360 where: short stacking energy: -6.886 Base-Backbone interact. energy: -0.193 local terms energy: -18.983507 where: bonds (distance) C4'-P energy: -5.163 bonds (distance) P-C4' energy: -7.556 flat angles C4'-P-C4' energy: -7.490 flat angles P-C4'-P energy: -0.983 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: 8, replica: 6 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -48.960699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.960699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.960699 (E_RNA) where: Base-Base interactions energy: -22.419 where: short stacking energy: -21.169 Base-Backbone interact. energy: -0.103 local terms energy: -26.439531 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -4.698 flat angles P-C4'-P energy: -3.332 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: 9, replica: 1 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -46.112888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.112888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.112888 (E_RNA) where: Base-Base interactions energy: -16.711 where: short stacking energy: -15.814 Base-Backbone interact. energy: -0.008 local terms energy: -29.393741 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -7.199 flat angles P-C4'-P energy: -4.695 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: 10, replica: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -46.237564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.237564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.237564 (E_RNA) where: Base-Base interactions energy: -13.867 where: short stacking energy: -13.867 Base-Backbone interact. energy: -0.274 local terms energy: -32.096710 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.978 flat angles C4'-P-C4' energy: -7.214 flat angles P-C4'-P energy: -5.087 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: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -57.620195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.620195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.620195 (E_RNA) where: Base-Base interactions energy: -25.327 where: short stacking energy: -20.714 Base-Backbone interact. energy: -0.247 local terms energy: -32.046093 where: bonds (distance) C4'-P energy: -7.220 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.724 flat angles P-C4'-P energy: -5.406 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: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -73.409088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.409088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.409088 (E_RNA) where: Base-Base interactions energy: -40.941 where: short stacking energy: -23.274 Base-Backbone interact. energy: -0.004 local terms energy: -32.463786 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -5.079 flat angles P-C4'-P energy: -5.174 tors. eta vs tors. theta energy: -6.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -49.149828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.149828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.149828 (E_RNA) where: Base-Base interactions energy: -22.455 where: short stacking energy: -22.455 Base-Backbone interact. energy: -0.124 local terms energy: -26.570597 where: bonds (distance) C4'-P energy: -7.700 bonds (distance) P-C4' energy: -7.330 flat angles C4'-P-C4' energy: -6.053 flat angles P-C4'-P energy: -4.301 tors. eta vs tors. theta energy: -1.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -42.234972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.234972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.234972 (E_RNA) where: Base-Base interactions energy: -17.195 where: short stacking energy: -13.062 Base-Backbone interact. energy: -0.125 local terms energy: -24.915260 where: bonds (distance) C4'-P energy: -6.549 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -5.245 tors. eta vs tors. theta energy: 1.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -49.989599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.989599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.989599 (E_RNA) where: Base-Base interactions energy: -23.752 where: short stacking energy: -18.073 Base-Backbone interact. energy: -0.802 local terms energy: -25.435007 where: bonds (distance) C4'-P energy: -6.035 bonds (distance) P-C4' energy: -5.832 flat angles C4'-P-C4' energy: -4.911 flat angles P-C4'-P energy: -3.502 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: 5 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -54.253640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.253640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.253640 (E_RNA) where: Base-Base interactions energy: -24.334 where: short stacking energy: -24.334 Base-Backbone interact. energy: -0.004 local terms energy: -29.915755 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -6.125 flat angles C4'-P-C4' energy: -3.862 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -7.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -42.320510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.320510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.320510 (E_RNA) where: Base-Base interactions energy: -20.714 where: short stacking energy: -10.362 Base-Backbone interact. energy: -0.070 local terms energy: -21.536581 where: bonds (distance) C4'-P energy: -6.850 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -3.351 flat angles P-C4'-P energy: -5.255 tors. eta vs tors. theta energy: 1.482 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: 10 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -40.565561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.565561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.565561 (E_RNA) where: Base-Base interactions energy: -16.756 where: short stacking energy: -12.401 Base-Backbone interact. energy: 0.244 local terms energy: -24.054189 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -7.355 flat angles C4'-P-C4' energy: -6.223 flat angles P-C4'-P energy: -1.627 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -37.250675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.250675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.250675 (E_RNA) where: Base-Base interactions energy: -10.631 where: short stacking energy: -10.631 Base-Backbone interact. energy: -0.108 local terms energy: -26.511784 where: bonds (distance) C4'-P energy: -6.726 bonds (distance) P-C4' energy: -7.886 flat angles C4'-P-C4' energy: -6.897 flat angles P-C4'-P energy: -6.537 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: 10, replica: 1 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -42.810603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.810603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.810603 (E_RNA) where: Base-Base interactions energy: -19.065 where: short stacking energy: -7.367 Base-Backbone interact. energy: 0.147 local terms energy: -23.892021 where: bonds (distance) C4'-P energy: -5.920 bonds (distance) P-C4' energy: -7.559 flat angles C4'-P-C4' energy: -0.498 flat angles P-C4'-P energy: -5.977 tors. eta vs tors. theta energy: -3.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -70.081222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.081222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.081222 (E_RNA) where: Base-Base interactions energy: -32.965 where: short stacking energy: -29.258 Base-Backbone interact. energy: -0.023 local terms energy: -37.093892 where: bonds (distance) C4'-P energy: -7.985 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.741 flat angles P-C4'-P energy: -4.181 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -69.464377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.464377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.464377 (E_RNA) where: Base-Base interactions energy: -34.033 where: short stacking energy: -34.033 Base-Backbone interact. energy: -0.000 local terms energy: -35.431159 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -2.670 tors. eta vs tors. theta energy: -9.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -62.214307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.214307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.214307 (E_RNA) where: Base-Base interactions energy: -25.926 where: short stacking energy: -25.926 Base-Backbone interact. energy: -0.000 local terms energy: -36.288324 where: bonds (distance) C4'-P energy: -5.447 bonds (distance) P-C4' energy: -7.593 flat angles C4'-P-C4' energy: -8.601 flat angles P-C4'-P energy: -6.144 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: 4, replica: 8 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -47.124611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.124611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.124611 (E_RNA) where: Base-Base interactions energy: -18.270 where: short stacking energy: -17.811 Base-Backbone interact. energy: -0.000 local terms energy: -28.853978 where: bonds (distance) C4'-P energy: -8.387 bonds (distance) P-C4' energy: -6.839 flat angles C4'-P-C4' energy: -4.785 flat angles P-C4'-P energy: -5.674 tors. eta vs tors. theta energy: -3.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -52.446436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.446436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.446436 (E_RNA) where: Base-Base interactions energy: -20.507 where: short stacking energy: -20.507 Base-Backbone interact. energy: -0.034 local terms energy: -31.905311 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -5.906 flat angles P-C4'-P energy: -5.070 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: 6, replica: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -45.962513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.962513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.962513 (E_RNA) where: Base-Base interactions energy: -16.857 where: short stacking energy: -16.857 Base-Backbone interact. energy: -0.015 local terms energy: -29.090565 where: bonds (distance) C4'-P energy: -4.914 bonds (distance) P-C4' energy: -8.379 flat angles C4'-P-C4' energy: -8.394 flat angles P-C4'-P energy: -5.507 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: 7, replica: 5 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -45.185137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.185137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.185137 (E_RNA) where: Base-Base interactions energy: -16.886 where: short stacking energy: -16.886 Base-Backbone interact. energy: -0.024 local terms energy: -28.274803 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -8.427 flat angles P-C4'-P energy: -4.327 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: 8, replica: 4 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -49.091475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.091475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.091475 (E_RNA) where: Base-Base interactions energy: -19.602 where: short stacking energy: -19.602 Base-Backbone interact. energy: -0.089 local terms energy: -29.400362 where: bonds (distance) C4'-P energy: -7.782 bonds (distance) P-C4' energy: -6.392 flat angles C4'-P-C4' energy: -7.384 flat angles P-C4'-P energy: -3.425 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: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -46.925754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.925754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.925754 (E_RNA) where: Base-Base interactions energy: -18.351 where: short stacking energy: -18.351 Base-Backbone interact. energy: -0.086 local terms energy: -28.488227 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -7.780 flat angles C4'-P-C4' energy: -6.846 flat angles P-C4'-P energy: -4.721 tors. eta vs tors. theta energy: -1.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -37.834555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.834555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.834555 (E_RNA) where: Base-Base interactions energy: -19.720 where: short stacking energy: -14.306 Base-Backbone interact. energy: -0.002 local terms energy: -18.112383 where: bonds (distance) C4'-P energy: -3.540 bonds (distance) P-C4' energy: -7.827 flat angles C4'-P-C4' energy: 0.258 flat angles P-C4'-P energy: -3.968 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: 1, replica: 7 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -65.615635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.615635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.615635 (E_RNA) where: Base-Base interactions energy: -30.008 where: short stacking energy: -30.008 Base-Backbone interact. energy: -0.000 local terms energy: -35.607597 where: bonds (distance) C4'-P energy: -5.954 bonds (distance) P-C4' energy: -7.463 flat angles C4'-P-C4' energy: -7.154 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -9.561 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: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -55.613691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.613691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.613691 (E_RNA) where: Base-Base interactions energy: -24.635 where: short stacking energy: -24.635 Base-Backbone interact. energy: -0.016 local terms energy: -30.962913 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -9.032 flat angles C4'-P-C4' energy: -7.633 flat angles P-C4'-P energy: -4.911 tors. eta vs tors. theta energy: -1.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -50.026806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.026806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.026806 (E_RNA) where: Base-Base interactions energy: -17.729 where: short stacking energy: -17.276 Base-Backbone interact. energy: -0.179 local terms energy: -32.118950 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -4.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -57.940125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.940125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.940125 (E_RNA) where: Base-Base interactions energy: -24.366 where: short stacking energy: -23.800 Base-Backbone interact. energy: -0.028 local terms energy: -33.546781 where: bonds (distance) C4'-P energy: -5.298 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -8.634 flat angles P-C4'-P energy: -5.642 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: 5, replica: 9 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -55.685547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.685547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.685547 (E_RNA) where: Base-Base interactions energy: -21.206 where: short stacking energy: -21.206 Base-Backbone interact. energy: -0.064 local terms energy: -34.415382 where: bonds (distance) C4'-P energy: -7.231 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -9.022 flat angles P-C4'-P energy: -6.260 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: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -49.686250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.686250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.686250 (E_RNA) where: Base-Base interactions energy: -16.776 where: short stacking energy: -16.776 Base-Backbone interact. energy: -0.086 local terms energy: -32.824517 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.969 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: 7, replica: 4 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -39.921815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.921815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.921815 (E_RNA) where: Base-Base interactions energy: -11.348 where: short stacking energy: -3.763 Base-Backbone interact. energy: -0.020 local terms energy: -28.554199 where: bonds (distance) C4'-P energy: -5.919 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -6.806 flat angles P-C4'-P energy: -5.971 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: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -46.708825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.708825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.708825 (E_RNA) where: Base-Base interactions energy: -20.430 where: short stacking energy: -20.430 Base-Backbone interact. energy: -0.000 local terms energy: -26.278783 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -4.712 flat angles C4'-P-C4' energy: -6.833 flat angles P-C4'-P energy: -2.770 tors. eta vs tors. theta energy: -5.800 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: 1 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -50.037531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.037531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.037531 (E_RNA) where: Base-Base interactions energy: -20.874 where: short stacking energy: -20.065 Base-Backbone interact. energy: -0.001 local terms energy: -29.162989 where: bonds (distance) C4'-P energy: -4.633 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.421 flat angles P-C4'-P energy: -4.453 tors. eta vs tors. theta energy: -5.529 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: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -37.354869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.354869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.354869 (E_RNA) where: Base-Base interactions energy: -16.203 where: short stacking energy: -16.203 Base-Backbone interact. energy: -0.032 local terms energy: -21.119923 where: bonds (distance) C4'-P energy: -3.287 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -1.524 tors. eta vs tors. theta energy: -0.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -67.791266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.791266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.791266 (E_RNA) where: Base-Base interactions energy: -31.239 where: short stacking energy: -23.456 Base-Backbone interact. energy: -0.026 local terms energy: -36.526212 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -9.588 flat angles C4'-P-C4' energy: -6.247 flat angles P-C4'-P energy: -5.496 tors. eta vs tors. theta energy: -6.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -69.943445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.943445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.943445 (E_RNA) where: Base-Base interactions energy: -32.502 where: short stacking energy: -22.067 Base-Backbone interact. energy: -0.211 local terms energy: -37.230829 where: bonds (distance) C4'-P energy: -8.565 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -5.843 flat angles P-C4'-P energy: -4.043 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: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -55.449264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.449264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.449264 (E_RNA) where: Base-Base interactions energy: -23.048 where: short stacking energy: -23.048 Base-Backbone interact. energy: -0.001 local terms energy: -32.400589 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -8.186 flat angles C4'-P-C4' energy: -7.351 flat angles P-C4'-P energy: -6.509 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: 9 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -52.063704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.063704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.063704 (E_RNA) where: Base-Base interactions energy: -21.248 where: short stacking energy: -21.248 Base-Backbone interact. energy: -0.003 local terms energy: -30.812006 where: bonds (distance) C4'-P energy: -7.621 bonds (distance) P-C4' energy: -7.420 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -4.009 tors. eta vs tors. theta energy: -3.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -53.139648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.139648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.139648 (E_RNA) where: Base-Base interactions energy: -19.501 where: short stacking energy: -19.501 Base-Backbone interact. energy: -0.099 local terms energy: -33.539605 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -6.512 flat angles P-C4'-P energy: -5.328 tors. eta vs tors. theta energy: -6.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -50.600342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.600342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.600342 (E_RNA) where: Base-Base interactions energy: -16.573 where: short stacking energy: -14.497 Base-Backbone interact. energy: -0.003 local terms energy: -34.024434 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -5.619 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -4.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -46.494139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.494139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.494139 (E_RNA) where: Base-Base interactions energy: -16.222 where: short stacking energy: -16.222 Base-Backbone interact. energy: -0.005 local terms energy: -30.266824 where: bonds (distance) C4'-P energy: -6.337 bonds (distance) P-C4' energy: -5.941 flat angles C4'-P-C4' energy: -8.900 flat angles P-C4'-P energy: -4.860 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -52.389932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.389932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.389932 (E_RNA) where: Base-Base interactions energy: -18.143 where: short stacking energy: -18.143 Base-Backbone interact. energy: -0.142 local terms energy: -34.105318 where: bonds (distance) C4'-P energy: -7.542 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -8.879 flat angles P-C4'-P energy: -6.216 tors. eta vs tors. theta energy: -2.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -41.565814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.565814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.565814 (E_RNA) where: Base-Base interactions energy: -13.468 where: short stacking energy: -12.777 Base-Backbone interact. energy: -0.112 local terms energy: -27.985157 where: bonds (distance) C4'-P energy: -6.487 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.846 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -0.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -38.909485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.909485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.909485 (E_RNA) where: Base-Base interactions energy: -14.138 where: short stacking energy: -8.215 Base-Backbone interact. energy: -0.033 local terms energy: -24.738903 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.091 flat angles C4'-P-C4' energy: -8.668 flat angles P-C4'-P energy: -1.779 tors. eta vs tors. theta energy: 1.900 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: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -81.150469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.150469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.150469 (E_RNA) where: Base-Base interactions energy: -42.531 where: short stacking energy: -25.644 Base-Backbone interact. energy: -2.176 local terms energy: -36.443001 where: bonds (distance) C4'-P energy: -7.436 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -6.827 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: 2, replica: 7 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -57.458937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.458937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.458937 (E_RNA) where: Base-Base interactions energy: -25.169 where: short stacking energy: -18.365 Base-Backbone interact. energy: -0.000 local terms energy: -32.289138 where: bonds (distance) C4'-P energy: -8.937 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -2.770 flat angles P-C4'-P energy: -3.229 tors. eta vs tors. theta energy: -7.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -63.149862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.149862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.149862 (E_RNA) where: Base-Base interactions energy: -29.342 where: short stacking energy: -22.884 Base-Backbone interact. energy: -0.000 local terms energy: -33.808136 where: bonds (distance) C4'-P energy: -5.357 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -8.140 flat angles P-C4'-P energy: -6.810 tors. eta vs tors. theta energy: -6.176 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: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -56.945373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.945373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.945373 (E_RNA) where: Base-Base interactions energy: -23.457 where: short stacking energy: -23.457 Base-Backbone interact. energy: -0.096 local terms energy: -33.392209 where: bonds (distance) C4'-P energy: -4.339 bonds (distance) P-C4' energy: -7.913 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -6.699 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: 5, replica: 4 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -47.308507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.308507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.308507 (E_RNA) where: Base-Base interactions energy: -18.381 where: short stacking energy: -18.381 Base-Backbone interact. energy: -0.004 local terms energy: -28.923447 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -6.551 flat angles C4'-P-C4' energy: -7.495 flat angles P-C4'-P energy: -4.374 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: 6, replica: 3 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -51.218028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.218028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.218028 (E_RNA) where: Base-Base interactions energy: -24.428 where: short stacking energy: -21.991 Base-Backbone interact. energy: -0.044 local terms energy: -26.746148 where: bonds (distance) C4'-P energy: -5.780 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -5.660 flat angles P-C4'-P energy: -1.913 tors. eta vs tors. theta energy: -4.729 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: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -45.807682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.807682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.807682 (E_RNA) where: Base-Base interactions energy: -22.287 where: short stacking energy: -20.496 Base-Backbone interact. energy: -0.126 local terms energy: -23.395164 where: bonds (distance) C4'-P energy: -5.766 bonds (distance) P-C4' energy: -4.673 flat angles C4'-P-C4' energy: -7.600 flat angles P-C4'-P energy: -4.834 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: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -38.735990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.735990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.735990 (E_RNA) where: Base-Base interactions energy: -15.201 where: short stacking energy: -15.201 Base-Backbone interact. energy: -0.061 local terms energy: -23.474643 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -5.768 flat angles C4'-P-C4' energy: -5.719 flat angles P-C4'-P energy: -6.404 tors. eta vs tors. theta energy: 0.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -48.609161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.609161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.609161 (E_RNA) where: Base-Base interactions energy: -18.799 where: short stacking energy: -18.799 Base-Backbone interact. energy: -0.000 local terms energy: -29.809836 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -0.543 tors. eta vs tors. theta energy: -3.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -43.134712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.134712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.134712 (E_RNA) where: Base-Base interactions energy: -12.927 where: short stacking energy: -12.927 Base-Backbone interact. energy: -0.081 local terms energy: -30.126842 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -7.975 flat angles C4'-P-C4' energy: -5.011 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -6.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -80.556387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.556387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.556387 (E_RNA) where: Base-Base interactions energy: -44.987 where: short stacking energy: -24.009 Base-Backbone interact. energy: 0.061 local terms energy: -35.630434 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -8.174 flat angles P-C4'-P energy: -6.896 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: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -59.244498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.244498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.244498 (E_RNA) where: Base-Base interactions energy: -24.860 where: short stacking energy: -24.853 Base-Backbone interact. energy: -0.004 local terms energy: -34.380178 where: bonds (distance) C4'-P energy: -6.244 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -9.481 flat angles P-C4'-P energy: -4.059 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: 3, replica: 7 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -60.100781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.100781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.100781 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.003 local terms energy: -33.916382 where: bonds (distance) C4'-P energy: -3.705 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -5.255 flat angles P-C4'-P energy: -6.713 tors. eta vs tors. theta energy: -8.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -48.691430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.691430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.691430 (E_RNA) where: Base-Base interactions energy: -18.515 where: short stacking energy: -18.515 Base-Backbone interact. energy: -0.000 local terms energy: -30.175662 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.059 flat angles C4'-P-C4' energy: -5.735 flat angles P-C4'-P energy: -5.007 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: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -57.502689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.502689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.502689 (E_RNA) where: Base-Base interactions energy: -19.915 where: short stacking energy: -19.915 Base-Backbone interact. energy: -0.000 local terms energy: -37.587582 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -5.396 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: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -52.829093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.829093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.829093 (E_RNA) where: Base-Base interactions energy: -21.699 where: short stacking energy: -21.699 Base-Backbone interact. energy: -0.000 local terms energy: -31.129822 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -6.191 flat angles P-C4'-P energy: -5.464 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: 7, replica: 3 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -49.410420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.410420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.410420 (E_RNA) where: Base-Base interactions energy: -18.655 where: short stacking energy: -18.655 Base-Backbone interact. energy: -0.097 local terms energy: -30.659077 where: bonds (distance) C4'-P energy: -7.311 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -4.844 flat angles P-C4'-P energy: -2.584 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: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -57.994163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.994163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.994163 (E_RNA) where: Base-Base interactions energy: -26.849 where: short stacking energy: -24.709 Base-Backbone interact. energy: 0.477 local terms energy: -31.622419 where: bonds (distance) C4'-P energy: -5.953 bonds (distance) P-C4' energy: -8.072 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -2.493 tors. eta vs tors. theta energy: -7.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -45.107477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.107477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.107477 (E_RNA) where: Base-Base interactions energy: -13.329 where: short stacking energy: -13.329 Base-Backbone interact. energy: -0.014 local terms energy: -31.764331 where: bonds (distance) C4'-P energy: -7.435 bonds (distance) P-C4' energy: -5.473 flat angles C4'-P-C4' energy: -8.825 flat angles P-C4'-P energy: -5.868 tors. eta vs tors. theta energy: -4.164 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: 5 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -37.414204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.414204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.414204 (E_RNA) where: Base-Base interactions energy: -15.262 where: short stacking energy: -14.790 Base-Backbone interact. energy: -0.063 local terms energy: -22.089410 where: bonds (distance) C4'-P energy: -6.777 bonds (distance) P-C4' energy: -2.621 flat angles C4'-P-C4' energy: -4.499 flat angles P-C4'-P energy: -3.321 tors. eta vs tors. theta energy: -4.872 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: 1, replica: 9 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -71.011758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.011758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.011758 (E_RNA) where: Base-Base interactions energy: -34.073 where: short stacking energy: -29.571 Base-Backbone interact. energy: -0.003 local terms energy: -36.935536 where: bonds (distance) C4'-P energy: -7.125 bonds (distance) P-C4' energy: -9.581 flat angles C4'-P-C4' energy: -7.606 flat angles P-C4'-P energy: -4.530 tors. eta vs tors. theta energy: -8.094 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: 8 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -64.169915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.169915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.169915 (E_RNA) where: Base-Base interactions energy: -32.442 where: short stacking energy: -11.047 Base-Backbone interact. energy: -0.041 local terms energy: -31.686745 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -7.805 flat angles C4'-P-C4' energy: -7.360 flat angles P-C4'-P energy: -6.917 tors. eta vs tors. theta energy: -1.272 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: 462 Temperature: 1.000000 Total energy: -65.277765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.277765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.277765 (E_RNA) where: Base-Base interactions energy: -32.687 where: short stacking energy: -18.183 Base-Backbone interact. energy: 0.319 local terms energy: -32.909457 where: bonds (distance) C4'-P energy: -7.347 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -4.742 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: 4 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -55.608001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.608001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.608001 (E_RNA) where: Base-Base interactions energy: -20.911 where: short stacking energy: -19.264 Base-Backbone interact. energy: -0.095 local terms energy: -34.602156 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -8.051 flat angles P-C4'-P energy: -3.331 tors. eta vs tors. theta energy: -6.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -50.632535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.632535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.632535 (E_RNA) where: Base-Base interactions energy: -19.550 where: short stacking energy: -19.550 Base-Backbone interact. energy: -0.025 local terms energy: -31.056919 where: bonds (distance) C4'-P energy: -6.449 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.544 flat angles P-C4'-P energy: -4.923 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -51.039560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.039560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.039560 (E_RNA) where: Base-Base interactions energy: -26.337 where: short stacking energy: -16.212 Base-Backbone interact. energy: -0.116 local terms energy: -24.586170 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -2.087 flat angles P-C4'-P energy: -1.582 tors. eta vs tors. theta energy: -3.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -48.075395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.075395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.075395 (E_RNA) where: Base-Base interactions energy: -17.541 where: short stacking energy: -17.541 Base-Backbone interact. energy: -0.051 local terms energy: -30.483148 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -4.416 flat angles P-C4'-P energy: -7.050 tors. eta vs tors. theta energy: -2.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -41.543343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.543343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.543343 (E_RNA) where: Base-Base interactions energy: -11.609 where: short stacking energy: -11.609 Base-Backbone interact. energy: 0.272 local terms energy: -30.205595 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -7.749 flat angles C4'-P-C4' energy: -5.937 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -1.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -41.701384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.701384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.701384 (E_RNA) where: Base-Base interactions energy: -10.597 where: short stacking energy: -10.597 Base-Backbone interact. energy: -0.073 local terms energy: -31.031224 where: bonds (distance) C4'-P energy: -6.868 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.468 flat angles P-C4'-P energy: -5.441 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: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -48.594527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.594527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.594527 (E_RNA) where: Base-Base interactions energy: -19.858 where: short stacking energy: -18.869 Base-Backbone interact. energy: -0.099 local terms energy: -28.637644 where: bonds (distance) C4'-P energy: -3.130 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -7.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -82.982350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.982350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.982350 (E_RNA) where: Base-Base interactions energy: -45.245 where: short stacking energy: -25.738 Base-Backbone interact. energy: -0.095 local terms energy: -37.643166 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.802 flat angles C4'-P-C4' energy: -8.688 flat angles P-C4'-P energy: -3.494 tors. eta vs tors. theta energy: -8.592 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: 8 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -67.359747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.359747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.359747 (E_RNA) where: Base-Base interactions energy: -35.738 where: short stacking energy: -20.700 Base-Backbone interact. energy: -0.027 local terms energy: -31.594908 where: bonds (distance) C4'-P energy: -7.331 bonds (distance) P-C4' energy: -7.601 flat angles C4'-P-C4' energy: -8.622 flat angles P-C4'-P energy: -3.437 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -60.682015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.682015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.682015 (E_RNA) where: Base-Base interactions energy: -27.411 where: short stacking energy: -27.411 Base-Backbone interact. energy: -0.002 local terms energy: -33.269026 where: bonds (distance) C4'-P energy: -6.769 bonds (distance) P-C4' energy: -7.063 flat angles C4'-P-C4' energy: -7.666 flat angles P-C4'-P energy: -5.886 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: 4, replica: 4 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -59.296327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.296327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.296327 (E_RNA) where: Base-Base interactions energy: -32.373 where: short stacking energy: -12.405 Base-Backbone interact. energy: -0.893 local terms energy: -26.030607 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -5.446 flat angles P-C4'-P energy: -4.957 tors. eta vs tors. theta energy: -1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -51.432348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.432348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.432348 (E_RNA) where: Base-Base interactions energy: -20.427 where: short stacking energy: -20.427 Base-Backbone interact. energy: -0.000 local terms energy: -31.005607 where: bonds (distance) C4'-P energy: -4.918 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -9.069 flat angles P-C4'-P energy: -3.316 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: 6, replica: 2 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -56.028469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.028469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.028469 (E_RNA) where: Base-Base interactions energy: -26.741 where: short stacking energy: -20.368 Base-Backbone interact. energy: -0.013 local terms energy: -29.274147 where: bonds (distance) C4'-P energy: -6.272 bonds (distance) P-C4' energy: -5.991 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -3.579 tors. eta vs tors. theta energy: -5.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -43.967477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.967477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.967477 (E_RNA) where: Base-Base interactions energy: -15.755 where: short stacking energy: -15.755 Base-Backbone interact. energy: -0.002 local terms energy: -28.210546 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -5.904 flat angles P-C4'-P energy: -1.997 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: 8, replica: 5 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -56.333586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.333586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.333586 (E_RNA) where: Base-Base interactions energy: -27.633 where: short stacking energy: -15.565 Base-Backbone interact. energy: -0.000 local terms energy: -28.700114 where: bonds (distance) C4'-P energy: -6.719 bonds (distance) P-C4' energy: -6.867 flat angles C4'-P-C4' energy: -7.277 flat angles P-C4'-P energy: -2.369 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: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -44.243372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.243372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.243372 (E_RNA) where: Base-Base interactions energy: -17.056 where: short stacking energy: -12.797 Base-Backbone interact. energy: -0.043 local terms energy: -27.144395 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -1.932 flat angles P-C4'-P energy: -7.173 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: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -48.325965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.325965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.325965 (E_RNA) where: Base-Base interactions energy: -18.008 where: short stacking energy: -10.146 Base-Backbone interact. energy: -0.003 local terms energy: -30.315471 where: bonds (distance) C4'-P energy: -6.363 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -8.293 flat angles P-C4'-P energy: -4.747 tors. eta vs tors. theta energy: -2.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -77.100333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.100333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.100333 (E_RNA) where: Base-Base interactions energy: -44.202 where: short stacking energy: -24.503 Base-Backbone interact. energy: -0.001 local terms energy: -32.896416 where: bonds (distance) C4'-P energy: -5.969 bonds (distance) P-C4' energy: -5.892 flat angles C4'-P-C4' energy: -8.820 flat angles P-C4'-P energy: -5.964 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: 2, replica: 8 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -67.357150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.357150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.357150 (E_RNA) where: Base-Base interactions energy: -34.915 where: short stacking energy: -22.736 Base-Backbone interact. energy: -0.027 local terms energy: -32.414881 where: bonds (distance) C4'-P energy: -7.195 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.310 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -4.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -53.734824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.734824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.734824 (E_RNA) where: Base-Base interactions energy: -22.414 where: short stacking energy: -22.414 Base-Backbone interact. energy: -0.173 local terms energy: -31.147985 where: bonds (distance) C4'-P energy: -7.803 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -8.148 flat angles P-C4'-P energy: -5.618 tors. eta vs tors. theta energy: -1.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -52.162499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.162499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.162499 (E_RNA) where: Base-Base interactions energy: -20.633 where: short stacking energy: -20.633 Base-Backbone interact. energy: -0.000 local terms energy: -31.529222 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -8.246 flat angles C4'-P-C4' energy: -9.042 flat angles P-C4'-P energy: -1.759 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: 5, replica: 2 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -55.935545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.935545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.935545 (E_RNA) where: Base-Base interactions energy: -22.957 where: short stacking energy: -22.957 Base-Backbone interact. energy: -0.000 local terms energy: -32.978430 where: bonds (distance) C4'-P energy: -7.364 bonds (distance) P-C4' energy: -4.719 flat angles C4'-P-C4' energy: -8.816 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -6.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -52.847767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.847767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.847767 (E_RNA) where: Base-Base interactions energy: -26.482 where: short stacking energy: -26.482 Base-Backbone interact. energy: -0.016 local terms energy: -26.349819 where: bonds (distance) C4'-P energy: -5.444 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.867 flat angles P-C4'-P energy: -1.939 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: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -51.173958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.173958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.173958 (E_RNA) where: Base-Base interactions energy: -23.300 where: short stacking energy: -23.300 Base-Backbone interact. energy: -0.002 local terms energy: -27.871967 where: bonds (distance) C4'-P energy: -6.578 bonds (distance) P-C4' energy: -6.290 flat angles C4'-P-C4' energy: -7.562 flat angles P-C4'-P energy: -2.932 tors. eta vs tors. theta energy: -4.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -45.732305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.732305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.732305 (E_RNA) where: Base-Base interactions energy: -21.608 where: short stacking energy: -14.660 Base-Backbone interact. energy: -0.015 local terms energy: -24.109327 where: bonds (distance) C4'-P energy: -6.052 bonds (distance) P-C4' energy: -7.358 flat angles C4'-P-C4' energy: -7.181 flat angles P-C4'-P energy: -1.724 tors. eta vs tors. theta energy: -1.794 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: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -41.530139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.530139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.530139 (E_RNA) where: Base-Base interactions energy: -13.174 where: short stacking energy: -13.174 Base-Backbone interact. energy: -0.001 local terms energy: -28.354430 where: bonds (distance) C4'-P energy: -7.382 bonds (distance) P-C4' energy: -6.579 flat angles C4'-P-C4' energy: -4.767 flat angles P-C4'-P energy: -5.438 tors. eta vs tors. theta energy: -4.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -39.100954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.100954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.100954 (E_RNA) where: Base-Base interactions energy: -11.424 where: short stacking energy: -11.424 Base-Backbone interact. energy: -0.001 local terms energy: -27.675298 where: bonds (distance) C4'-P energy: -4.508 bonds (distance) P-C4' energy: -8.345 flat angles C4'-P-C4' energy: -3.738 flat angles P-C4'-P energy: -6.172 tors. eta vs tors. theta energy: -4.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -71.541892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.541892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.541892 (E_RNA) where: Base-Base interactions energy: -36.860 where: short stacking energy: -28.027 Base-Backbone interact. energy: -0.001 local terms energy: -34.680493 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.212 flat angles P-C4'-P energy: -4.782 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: 2, replica: 4 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -60.233293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.233293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.233293 (E_RNA) where: Base-Base interactions energy: -28.541 where: short stacking energy: -28.541 Base-Backbone interact. energy: -0.001 local terms energy: -31.691966 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -7.058 flat angles C4'-P-C4' energy: -6.735 flat angles P-C4'-P energy: -5.268 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -67.277316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.277316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.277316 (E_RNA) where: Base-Base interactions energy: -32.053 where: short stacking energy: -28.479 Base-Backbone interact. energy: -1.746 local terms energy: -33.478408 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -6.113 flat angles C4'-P-C4' energy: -6.123 flat angles P-C4'-P energy: -6.302 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: 4, replica: 2 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -51.521944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.521944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.521944 (E_RNA) where: Base-Base interactions energy: -21.865 where: short stacking energy: -19.709 Base-Backbone interact. energy: -0.035 local terms energy: -29.622165 where: bonds (distance) C4'-P energy: -7.684 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -5.913 flat angles P-C4'-P energy: -5.807 tors. eta vs tors. theta energy: -1.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -59.777048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.777048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.777048 (E_RNA) where: Base-Base interactions energy: -27.026 where: short stacking energy: -18.884 Base-Backbone interact. energy: -0.009 local terms energy: -32.741489 where: bonds (distance) C4'-P energy: -5.477 bonds (distance) P-C4' energy: -7.270 flat angles C4'-P-C4' energy: -6.713 flat angles P-C4'-P energy: -7.158 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: 6, replica: 5 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -51.757943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.757943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.757943 (E_RNA) where: Base-Base interactions energy: -22.140 where: short stacking energy: -22.140 Base-Backbone interact. energy: -0.095 local terms energy: -29.522734 where: bonds (distance) C4'-P energy: -4.487 bonds (distance) P-C4' energy: -7.928 flat angles C4'-P-C4' energy: -6.810 flat angles P-C4'-P energy: -5.426 tors. eta vs tors. theta energy: -4.872 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: 1 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -47.851423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.851423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.851423 (E_RNA) where: Base-Base interactions energy: -18.062 where: short stacking energy: -17.672 Base-Backbone interact. energy: -0.099 local terms energy: -29.691253 where: bonds (distance) C4'-P energy: -7.668 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -6.567 flat angles P-C4'-P energy: -1.007 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: 8, replica: 6 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -40.939750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.939750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.939750 (E_RNA) where: Base-Base interactions energy: -21.519 where: short stacking energy: -5.481 Base-Backbone interact. energy: -0.038 local terms energy: -19.382234 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -6.653 flat angles C4'-P-C4' energy: 0.973 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: 0.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -45.019431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.019431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.019431 (E_RNA) where: Base-Base interactions energy: -19.051 where: short stacking energy: -18.532 Base-Backbone interact. energy: -0.003 local terms energy: -25.966044 where: bonds (distance) C4'-P energy: -8.396 bonds (distance) P-C4' energy: -6.309 flat angles C4'-P-C4' energy: -5.486 flat angles P-C4'-P energy: -1.945 tors. eta vs tors. theta energy: -3.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -47.411453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.411453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.411453 (E_RNA) where: Base-Base interactions energy: -20.016 where: short stacking energy: -15.170 Base-Backbone interact. energy: -0.004 local terms energy: -27.391532 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.033 flat angles P-C4'-P energy: -3.374 tors. eta vs tors. theta energy: -2.404 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: 4 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -68.927892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.927892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.927892 (E_RNA) where: Base-Base interactions energy: -31.293 where: short stacking energy: -31.293 Base-Backbone interact. energy: -0.000 local terms energy: -37.634769 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -8.168 flat angles P-C4'-P energy: -4.620 tors. eta vs tors. theta energy: -8.311 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: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -64.100277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.100277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.100277 (E_RNA) where: Base-Base interactions energy: -35.650 where: short stacking energy: -20.084 Base-Backbone interact. energy: -0.121 local terms energy: -28.329035 where: bonds (distance) C4'-P energy: -4.867 bonds (distance) P-C4' energy: -6.410 flat angles C4'-P-C4' energy: -8.343 flat angles P-C4'-P energy: -4.706 tors. eta vs tors. theta energy: -4.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -53.277160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.277160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.277160 (E_RNA) where: Base-Base interactions energy: -22.358 where: short stacking energy: -22.358 Base-Backbone interact. energy: -0.001 local terms energy: -30.917980 where: bonds (distance) C4'-P energy: -4.429 bonds (distance) P-C4' energy: -6.321 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -7.437 tors. eta vs tors. theta energy: -5.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -51.169337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.169337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.169337 (E_RNA) where: Base-Base interactions energy: -21.309 where: short stacking energy: -16.661 Base-Backbone interact. energy: -0.006 local terms energy: -29.854775 where: bonds (distance) C4'-P energy: -5.973 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.459 flat angles P-C4'-P energy: -4.043 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: 5, replica: 5 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -53.112763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.112763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.112763 (E_RNA) where: Base-Base interactions energy: -19.556 where: short stacking energy: -19.556 Base-Backbone interact. energy: -0.047 local terms energy: -33.509341 where: bonds (distance) C4'-P energy: -7.899 bonds (distance) P-C4' energy: -9.039 flat angles C4'-P-C4' energy: -5.804 flat angles P-C4'-P energy: -5.318 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: 7 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -54.877154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.877154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.877154 (E_RNA) where: Base-Base interactions energy: -26.963 where: short stacking energy: -21.050 Base-Backbone interact. energy: -0.000 local terms energy: -27.913498 where: bonds (distance) C4'-P energy: -4.799 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -8.584 flat angles P-C4'-P energy: -1.365 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: 7, replica: 1 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -45.974740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.974740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.974740 (E_RNA) where: Base-Base interactions energy: -20.000 where: short stacking energy: -15.395 Base-Backbone interact. energy: -0.078 local terms energy: -25.896430 where: bonds (distance) C4'-P energy: -0.500 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -8.667 flat angles P-C4'-P energy: -5.030 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -46.093066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.093066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.093066 (E_RNA) where: Base-Base interactions energy: -17.704 where: short stacking energy: -17.704 Base-Backbone interact. energy: -0.105 local terms energy: -28.284727 where: bonds (distance) C4'-P energy: -5.961 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.117 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -44.358140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.358140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.358140 (E_RNA) where: Base-Base interactions energy: -14.920 where: short stacking energy: -14.920 Base-Backbone interact. energy: -0.001 local terms energy: -29.436677 where: bonds (distance) C4'-P energy: -6.264 bonds (distance) P-C4' energy: -6.367 flat angles C4'-P-C4' energy: -7.932 flat angles P-C4'-P energy: -5.277 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: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -43.442923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.442923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.442923 (E_RNA) where: Base-Base interactions energy: -14.408 where: short stacking energy: -14.408 Base-Backbone interact. energy: -0.103 local terms energy: -28.931500 where: bonds (distance) C4'-P energy: -7.211 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -6.221 flat angles P-C4'-P energy: -4.912 tors. eta vs tors. theta energy: -4.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -66.497052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.497052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.497052 (E_RNA) where: Base-Base interactions energy: -28.241 where: short stacking energy: -28.241 Base-Backbone interact. energy: -0.001 local terms energy: -38.254609 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -8.976 flat angles P-C4'-P energy: -7.716 tors. eta vs tors. theta energy: -4.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -59.507594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.507594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.507594 (E_RNA) where: Base-Base interactions energy: -25.678 where: short stacking energy: -25.678 Base-Backbone interact. energy: -0.000 local terms energy: -33.829764 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -8.630 flat angles C4'-P-C4' energy: -7.286 flat angles P-C4'-P energy: -4.690 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: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -55.669373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.669373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.669373 (E_RNA) where: Base-Base interactions energy: -28.884 where: short stacking energy: -13.986 Base-Backbone interact. energy: -0.052 local terms energy: -26.733395 where: bonds (distance) C4'-P energy: -7.241 bonds (distance) P-C4' energy: -6.581 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -4.360 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: 4, replica: 5 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -60.175108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.175108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.175108 (E_RNA) where: Base-Base interactions energy: -32.829 where: short stacking energy: -24.584 Base-Backbone interact. energy: -0.001 local terms energy: -27.345186 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -6.055 flat angles C4'-P-C4' energy: -5.634 flat angles P-C4'-P energy: -5.155 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -58.154925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.154925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.154925 (E_RNA) where: Base-Base interactions energy: -25.719 where: short stacking energy: -25.719 Base-Backbone interact. energy: -0.003 local terms energy: -32.432694 where: bonds (distance) C4'-P energy: -5.663 bonds (distance) P-C4' energy: -7.677 flat angles C4'-P-C4' energy: -6.613 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -7.467 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: 7 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -52.065020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.065020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.065020 (E_RNA) where: Base-Base interactions energy: -22.172 where: short stacking energy: -21.195 Base-Backbone interact. energy: -0.009 local terms energy: -29.883602 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -8.210 flat angles P-C4'-P energy: -1.970 tors. eta vs tors. theta energy: -3.682 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: 7, replica: 1 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -50.823066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.823066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.823066 (E_RNA) where: Base-Base interactions energy: -23.525 where: short stacking energy: -23.525 Base-Backbone interact. energy: -0.142 local terms energy: -27.156811 where: bonds (distance) C4'-P energy: -5.751 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -7.058 flat angles P-C4'-P energy: -3.660 tors. eta vs tors. theta energy: -2.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -43.416532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.416532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.416532 (E_RNA) where: Base-Base interactions energy: -15.802 where: short stacking energy: -15.802 Base-Backbone interact. energy: -0.200 local terms energy: -27.414383 where: bonds (distance) C4'-P energy: -5.937 bonds (distance) P-C4' energy: -6.572 flat angles C4'-P-C4' energy: -7.185 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -1.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -41.087939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.087939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.087939 (E_RNA) where: Base-Base interactions energy: -14.820 where: short stacking energy: -14.085 Base-Backbone interact. energy: -0.003 local terms energy: -26.265083 where: bonds (distance) C4'-P energy: -5.634 bonds (distance) P-C4' energy: -7.326 flat angles C4'-P-C4' energy: -6.633 flat angles P-C4'-P energy: -3.860 tors. eta vs tors. theta energy: -2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -42.139030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.139030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.139030 (E_RNA) where: Base-Base interactions energy: -14.367 where: short stacking energy: -14.243 Base-Backbone interact. energy: -0.112 local terms energy: -27.660343 where: bonds (distance) C4'-P energy: -6.942 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -5.795 flat angles P-C4'-P energy: -5.776 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: 1, replica: 2 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -62.860554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.860554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.860554 (E_RNA) where: Base-Base interactions energy: -30.439 where: short stacking energy: -30.439 Base-Backbone interact. energy: -0.022 local terms energy: -32.399214 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.287 flat angles C4'-P-C4' energy: -8.763 flat angles P-C4'-P energy: -4.272 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: 2, replica: 4 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -63.420790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.420790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.420790 (E_RNA) where: Base-Base interactions energy: -28.290 where: short stacking energy: -28.290 Base-Backbone interact. energy: -0.003 local terms energy: -35.128490 where: bonds (distance) C4'-P energy: -6.717 bonds (distance) P-C4' energy: -8.837 flat angles C4'-P-C4' energy: -7.452 flat angles P-C4'-P energy: -3.302 tors. eta vs tors. theta energy: -8.820 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: 5 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -55.134671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.134671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.134671 (E_RNA) where: Base-Base interactions energy: -23.401 where: short stacking energy: -23.401 Base-Backbone interact. energy: -0.001 local terms energy: -31.732311 where: bonds (distance) C4'-P energy: -6.632 bonds (distance) P-C4' energy: -7.090 flat angles C4'-P-C4' energy: -8.244 flat angles P-C4'-P energy: -3.426 tors. eta vs tors. theta energy: -6.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -59.067343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.067343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.067343 (E_RNA) where: Base-Base interactions energy: -29.393 where: short stacking energy: -19.442 Base-Backbone interact. energy: -1.207 local terms energy: -28.468045 where: bonds (distance) C4'-P energy: -8.635 bonds (distance) P-C4' energy: -7.551 flat angles C4'-P-C4' energy: -4.677 flat angles P-C4'-P energy: -3.948 tors. eta vs tors. theta energy: -3.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -58.674200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.674200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.674200 (E_RNA) where: Base-Base interactions energy: -23.074 where: short stacking energy: -23.074 Base-Backbone interact. energy: -0.019 local terms energy: -35.581134 where: bonds (distance) C4'-P energy: -7.183 bonds (distance) P-C4' energy: -8.432 flat angles C4'-P-C4' energy: -8.047 flat angles P-C4'-P energy: -6.016 tors. eta vs tors. theta energy: -5.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -44.151036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.151036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.151036 (E_RNA) where: Base-Base interactions energy: -14.964 where: short stacking energy: -14.964 Base-Backbone interact. energy: -0.081 local terms energy: -29.105912 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -5.119 flat angles C4'-P-C4' energy: -7.842 flat angles P-C4'-P energy: -5.913 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: 7, replica: 3 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -46.539652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.539652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.539652 (E_RNA) where: Base-Base interactions energy: -19.369 where: short stacking energy: -14.326 Base-Backbone interact. energy: -0.004 local terms energy: -27.166778 where: bonds (distance) C4'-P energy: -4.037 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -7.902 flat angles P-C4'-P energy: -4.924 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: 1 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -40.886021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.886021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.886021 (E_RNA) where: Base-Base interactions energy: -17.111 where: short stacking energy: -17.111 Base-Backbone interact. energy: -0.006 local terms energy: -23.768381 where: bonds (distance) C4'-P energy: -5.376 bonds (distance) P-C4' energy: -8.507 flat angles C4'-P-C4' energy: -5.027 flat angles P-C4'-P energy: -2.717 tors. eta vs tors. theta energy: -2.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -41.113928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.113928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.113928 (E_RNA) where: Base-Base interactions energy: -13.164 where: short stacking energy: -13.164 Base-Backbone interact. energy: -0.000 local terms energy: -27.950324 where: bonds (distance) C4'-P energy: -8.672 bonds (distance) P-C4' energy: -7.777 flat angles C4'-P-C4' energy: -5.328 flat angles P-C4'-P energy: -2.043 tors. eta vs tors. theta energy: -4.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -44.298149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.298149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.298149 (E_RNA) where: Base-Base interactions energy: -15.711 where: short stacking energy: -15.369 Base-Backbone interact. energy: -0.096 local terms energy: -28.491122 where: bonds (distance) C4'-P energy: -6.876 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -3.951 flat angles P-C4'-P energy: -5.800 tors. eta vs tors. theta energy: -3.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -73.243764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.243764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.243764 (E_RNA) where: Base-Base interactions energy: -32.148 where: short stacking energy: -32.148 Base-Backbone interact. energy: -0.015 local terms energy: -41.080844 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -8.892 flat angles P-C4'-P energy: -4.696 tors. eta vs tors. theta energy: -9.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -72.250910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.250910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.250910 (E_RNA) where: Base-Base interactions energy: -34.934 where: short stacking energy: -34.934 Base-Backbone interact. energy: -0.000 local terms energy: -37.316491 where: bonds (distance) C4'-P energy: -7.783 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.298 flat angles P-C4'-P energy: -2.530 tors. eta vs tors. theta energy: -11.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -65.012259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.012259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.012259 (E_RNA) where: Base-Base interactions energy: -24.715 where: short stacking energy: -24.715 Base-Backbone interact. energy: -0.000 local terms energy: -40.296424 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -8.690 flat angles P-C4'-P energy: -6.163 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: 4, replica: 9 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -68.731660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.731660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.731660 (E_RNA) where: Base-Base interactions energy: -35.851 where: short stacking energy: -18.429 Base-Backbone interact. energy: 2.123 local terms energy: -35.003195 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -5.145 flat angles P-C4'-P energy: -5.016 tors. eta vs tors. theta energy: -7.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -48.423895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.423895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.423895 (E_RNA) where: Base-Base interactions energy: -17.495 where: short stacking energy: -16.525 Base-Backbone interact. energy: -0.008 local terms energy: -30.920901 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -4.829 flat angles P-C4'-P energy: -6.121 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: 6, replica: 3 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -43.375082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.375082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.375082 (E_RNA) where: Base-Base interactions energy: -14.404 where: short stacking energy: -12.131 Base-Backbone interact. energy: -0.642 local terms energy: -28.328287 where: bonds (distance) C4'-P energy: -3.671 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -6.910 tors. eta vs tors. theta energy: -1.260 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: 7, replica: 7 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -45.204506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.204506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.204506 (E_RNA) where: Base-Base interactions energy: -19.608 where: short stacking energy: -14.836 Base-Backbone interact. energy: -0.046 local terms energy: -25.550078 where: bonds (distance) C4'-P energy: -6.147 bonds (distance) P-C4' energy: -9.295 flat angles C4'-P-C4' energy: -3.858 flat angles P-C4'-P energy: -4.182 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -40.926502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.926502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.926502 (E_RNA) where: Base-Base interactions energy: -17.706 where: short stacking energy: -10.857 Base-Backbone interact. energy: -0.006 local terms energy: -23.214608 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.273 flat angles C4'-P-C4' energy: -2.743 flat angles P-C4'-P energy: -4.307 tors. eta vs tors. theta energy: -0.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -42.395534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.395534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.395534 (E_RNA) where: Base-Base interactions energy: -17.104 where: short stacking energy: -17.104 Base-Backbone interact. energy: -0.035 local terms energy: -25.256559 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -4.619 flat angles C4'-P-C4' energy: -8.407 flat angles P-C4'-P energy: -4.060 tors. eta vs tors. theta energy: -1.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -42.846234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.846234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.846234 (E_RNA) where: Base-Base interactions energy: -16.406 where: short stacking energy: -16.406 Base-Backbone interact. energy: -0.056 local terms energy: -26.384141 where: bonds (distance) C4'-P energy: -6.115 bonds (distance) P-C4' energy: -4.398 flat angles C4'-P-C4' energy: -4.373 flat angles P-C4'-P energy: -5.257 tors. eta vs tors. theta energy: -6.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -68.313051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.313051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.313051 (E_RNA) where: Base-Base interactions energy: -28.173 where: short stacking energy: -26.210 Base-Backbone interact. energy: -0.000 local terms energy: -40.140295 where: bonds (distance) C4'-P energy: -9.045 bonds (distance) P-C4' energy: -7.656 flat angles C4'-P-C4' energy: -8.222 flat angles P-C4'-P energy: -6.690 tors. eta vs tors. theta energy: -8.528 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: 2 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -60.431746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.431746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.431746 (E_RNA) where: Base-Base interactions energy: -31.886 where: short stacking energy: -31.886 Base-Backbone interact. energy: -0.011 local terms energy: -28.535211 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -7.075 flat angles C4'-P-C4' energy: -7.819 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -4.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -69.435780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.435780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.435780 (E_RNA) where: Base-Base interactions energy: -32.949 where: short stacking energy: -30.755 Base-Backbone interact. energy: -0.066 local terms energy: -36.420223 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.805 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.059 tors. eta vs tors. theta energy: -7.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -56.839256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.839256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.839256 (E_RNA) where: Base-Base interactions energy: -23.104 where: short stacking energy: -23.104 Base-Backbone interact. energy: -0.005 local terms energy: -33.730783 where: bonds (distance) C4'-P energy: -8.094 bonds (distance) P-C4' energy: -6.886 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -6.817 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: 5, replica: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -54.491885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.491885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.491885 (E_RNA) where: Base-Base interactions energy: -21.066 where: short stacking energy: -21.066 Base-Backbone interact. energy: -0.071 local terms energy: -33.354795 where: bonds (distance) C4'-P energy: -7.687 bonds (distance) P-C4' energy: -8.806 flat angles C4'-P-C4' energy: -6.997 flat angles P-C4'-P energy: -4.593 tors. eta vs tors. theta energy: -5.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -47.344417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.344417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.344417 (E_RNA) where: Base-Base interactions energy: -17.882 where: short stacking energy: -17.882 Base-Backbone interact. energy: -0.001 local terms energy: -29.461874 where: bonds (distance) C4'-P energy: -5.848 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.891 flat angles P-C4'-P energy: -4.543 tors. eta vs tors. theta energy: -1.858 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: 10 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -53.563920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.563920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.563920 (E_RNA) where: Base-Base interactions energy: -24.762 where: short stacking energy: -24.595 Base-Backbone interact. energy: -0.002 local terms energy: -28.799736 where: bonds (distance) C4'-P energy: -7.071 bonds (distance) P-C4' energy: -6.357 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -4.243 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -42.480734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.480734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.480734 (E_RNA) where: Base-Base interactions energy: -14.027 where: short stacking energy: -14.027 Base-Backbone interact. energy: -0.131 local terms energy: -28.322778 where: bonds (distance) C4'-P energy: -6.380 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -6.546 flat angles P-C4'-P energy: -4.612 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -40.558860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.558860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.558860 (E_RNA) where: Base-Base interactions energy: -17.620 where: short stacking energy: -17.243 Base-Backbone interact. energy: -0.014 local terms energy: -22.925492 where: bonds (distance) C4'-P energy: -6.441 bonds (distance) P-C4' energy: -2.935 flat angles C4'-P-C4' energy: -5.412 flat angles P-C4'-P energy: -6.535 tors. eta vs tors. theta energy: -1.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -39.194336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.194336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.194336 (E_RNA) where: Base-Base interactions energy: -16.327 where: short stacking energy: -16.327 Base-Backbone interact. energy: -0.231 local terms energy: -22.636552 where: bonds (distance) C4'-P energy: -4.446 bonds (distance) P-C4' energy: -8.121 flat angles C4'-P-C4' energy: -7.593 flat angles P-C4'-P energy: -1.343 tors. eta vs tors. theta energy: -1.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -71.752393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.752393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.752393 (E_RNA) where: Base-Base interactions energy: -36.815 where: short stacking energy: -30.443 Base-Backbone interact. energy: -0.032 local terms energy: -34.905214 where: bonds (distance) C4'-P energy: -7.523 bonds (distance) P-C4' energy: -7.745 flat angles C4'-P-C4' energy: -8.061 flat angles P-C4'-P energy: -6.335 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: 2, replica: 9 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -69.109378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.109378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.109378 (E_RNA) where: Base-Base interactions energy: -31.871 where: short stacking energy: -31.871 Base-Backbone interact. energy: -0.000 local terms energy: -37.238571 where: bonds (distance) C4'-P energy: -7.778 bonds (distance) P-C4' energy: -7.519 flat angles C4'-P-C4' energy: -6.812 flat angles P-C4'-P energy: -5.308 tors. eta vs tors. theta energy: -9.821 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: 2 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -60.719779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.719779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.719779 (E_RNA) where: Base-Base interactions energy: -25.073 where: short stacking energy: -25.073 Base-Backbone interact. energy: -0.001 local terms energy: -35.646019 where: bonds (distance) C4'-P energy: -7.986 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -7.101 flat angles P-C4'-P energy: -4.824 tors. eta vs tors. theta energy: -7.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -54.265982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.265982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.265982 (E_RNA) where: Base-Base interactions energy: -23.270 where: short stacking energy: -23.270 Base-Backbone interact. energy: -0.002 local terms energy: -30.994546 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.361 flat angles C4'-P-C4' energy: -7.627 flat angles P-C4'-P energy: -6.514 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: 5, replica: 4 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -57.287816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.287816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.287816 (E_RNA) where: Base-Base interactions energy: -27.030 where: short stacking energy: -27.030 Base-Backbone interact. energy: -0.010 local terms energy: -30.247782 where: bonds (distance) C4'-P energy: -2.570 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -6.881 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -50.143178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.143178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.143178 (E_RNA) where: Base-Base interactions energy: -19.131 where: short stacking energy: -17.446 Base-Backbone interact. energy: -0.030 local terms energy: -30.981895 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -7.584 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -3.636 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: 8 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -48.995523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.995523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.995523 (E_RNA) where: Base-Base interactions energy: -17.425 where: short stacking energy: -17.425 Base-Backbone interact. energy: -0.006 local terms energy: -31.564608 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.833 flat angles C4'-P-C4' energy: -7.218 flat angles P-C4'-P energy: -5.726 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: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -62.869529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.869529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.869529 (E_RNA) where: Base-Base interactions energy: -36.351 where: short stacking energy: -11.515 Base-Backbone interact. energy: -0.770 local terms energy: -25.747679 where: bonds (distance) C4'-P energy: -3.200 bonds (distance) P-C4' energy: -7.045 flat angles C4'-P-C4' energy: -7.418 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -2.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -43.701583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.701583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.701583 (E_RNA) where: Base-Base interactions energy: -20.692 where: short stacking energy: -20.692 Base-Backbone interact. energy: -0.002 local terms energy: -23.008433 where: bonds (distance) C4'-P energy: -8.813 bonds (distance) P-C4' energy: -7.566 flat angles C4'-P-C4' energy: -5.789 flat angles P-C4'-P energy: 0.969 tors. eta vs tors. theta energy: -1.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -37.708563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.708563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.708563 (E_RNA) where: Base-Base interactions energy: -13.066 where: short stacking energy: -13.066 Base-Backbone interact. energy: -0.093 local terms energy: -24.549435 where: bonds (distance) C4'-P energy: -8.271 bonds (distance) P-C4' energy: -6.029 flat angles C4'-P-C4' energy: -3.191 flat angles P-C4'-P energy: -3.282 tors. eta vs tors. theta energy: -3.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -67.621068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.621068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.621068 (E_RNA) where: Base-Base interactions energy: -32.105 where: short stacking energy: -27.842 Base-Backbone interact. energy: -1.657 local terms energy: -33.859852 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -5.184 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -5.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -70.880633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.880633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.880633 (E_RNA) where: Base-Base interactions energy: -36.829 where: short stacking energy: -35.555 Base-Backbone interact. energy: -0.002 local terms energy: -34.050057 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -5.790 flat angles C4'-P-C4' energy: -6.442 flat angles P-C4'-P energy: -4.332 tors. eta vs tors. theta energy: -9.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -55.002791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.002791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.002791 (E_RNA) where: Base-Base interactions energy: -22.256 where: short stacking energy: -22.256 Base-Backbone interact. energy: -0.062 local terms energy: -32.685518 where: bonds (distance) C4'-P energy: -7.269 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -5.409 flat angles P-C4'-P energy: -5.282 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: 4, replica: 2 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -51.622793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.622793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.622793 (E_RNA) where: Base-Base interactions energy: -21.711 where: short stacking energy: -21.711 Base-Backbone interact. energy: -0.002 local terms energy: -29.909709 where: bonds (distance) C4'-P energy: -8.263 bonds (distance) P-C4' energy: -6.234 flat angles C4'-P-C4' energy: -7.644 flat angles P-C4'-P energy: -4.810 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: 10 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -56.467465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.467465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.467465 (E_RNA) where: Base-Base interactions energy: -24.278 where: short stacking energy: -18.683 Base-Backbone interact. energy: -0.006 local terms energy: -32.183399 where: bonds (distance) C4'-P energy: -4.922 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.360 flat angles P-C4'-P energy: -6.665 tors. eta vs tors. theta energy: -6.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -48.644620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.644620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.644620 (E_RNA) where: Base-Base interactions energy: -17.900 where: short stacking energy: -17.319 Base-Backbone interact. energy: -0.023 local terms energy: -30.721647 where: bonds (distance) C4'-P energy: -6.612 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.898 flat angles P-C4'-P energy: -7.572 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: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -46.428238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.428238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.428238 (E_RNA) where: Base-Base interactions energy: -19.379 where: short stacking energy: -19.379 Base-Backbone interact. energy: -0.020 local terms energy: -27.029812 where: bonds (distance) C4'-P energy: -5.837 bonds (distance) P-C4' energy: -8.038 flat angles C4'-P-C4' energy: -6.375 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -1.834 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: 8 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -41.349413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.349413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.349413 (E_RNA) where: Base-Base interactions energy: -13.900 where: short stacking energy: -13.900 Base-Backbone interact. energy: -0.001 local terms energy: -27.448186 where: bonds (distance) C4'-P energy: -3.755 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -5.368 flat angles P-C4'-P energy: -5.971 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: 9, replica: 1 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -47.228260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.228260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.228260 (E_RNA) where: Base-Base interactions energy: -26.646 where: short stacking energy: -16.411 Base-Backbone interact. energy: -0.478 local terms energy: -20.104087 where: bonds (distance) C4'-P energy: -3.515 bonds (distance) P-C4' energy: -9.084 flat angles C4'-P-C4' energy: -5.984 flat angles P-C4'-P energy: -1.387 tors. eta vs tors. theta energy: -0.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -41.824495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.824495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.824495 (E_RNA) where: Base-Base interactions energy: -11.344 where: short stacking energy: -11.344 Base-Backbone interact. energy: -0.065 local terms energy: -30.415603 where: bonds (distance) C4'-P energy: -6.442 bonds (distance) P-C4' energy: -9.056 flat angles C4'-P-C4' energy: -8.135 flat angles P-C4'-P energy: -7.044 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -66.423377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.423377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.423377 (E_RNA) where: Base-Base interactions energy: -29.553 where: short stacking energy: -26.060 Base-Backbone interact. energy: -0.000 local terms energy: -36.870426 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -8.917 flat angles P-C4'-P energy: -5.049 tors. eta vs tors. theta energy: -7.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -71.103961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.103961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.103961 (E_RNA) where: Base-Base interactions energy: -35.046 where: short stacking energy: -24.389 Base-Backbone interact. energy: -0.001 local terms energy: -36.057430 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.451 flat angles C4'-P-C4' energy: -8.983 flat angles P-C4'-P energy: -5.729 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: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -65.210741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.210741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.210741 (E_RNA) where: Base-Base interactions energy: -35.483 where: short stacking energy: -31.042 Base-Backbone interact. energy: -0.000 local terms energy: -29.727702 where: bonds (distance) C4'-P energy: -8.023 bonds (distance) P-C4' energy: -6.966 flat angles C4'-P-C4' energy: -7.099 flat angles P-C4'-P energy: -0.651 tors. eta vs tors. theta energy: -6.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -57.316238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.316238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.316238 (E_RNA) where: Base-Base interactions energy: -27.462 where: short stacking energy: -20.944 Base-Backbone interact. energy: -0.000 local terms energy: -29.853719 where: bonds (distance) C4'-P energy: -6.288 bonds (distance) P-C4' energy: -5.501 flat angles C4'-P-C4' energy: -6.395 flat angles P-C4'-P energy: -5.299 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: 5, replica: 2 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -59.153985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.153985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.153985 (E_RNA) where: Base-Base interactions energy: -26.930 where: short stacking energy: -26.930 Base-Backbone interact. energy: -0.000 local terms energy: -32.223422 where: bonds (distance) C4'-P energy: -6.821 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -6.956 flat angles P-C4'-P energy: -3.409 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: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -48.932238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.932238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.932238 (E_RNA) where: Base-Base interactions energy: -15.491 where: short stacking energy: -13.552 Base-Backbone interact. energy: -0.384 local terms energy: -33.057849 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -6.504 flat angles P-C4'-P energy: -6.343 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: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -44.792851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.792851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.792851 (E_RNA) where: Base-Base interactions energy: -14.131 where: short stacking energy: -14.036 Base-Backbone interact. energy: -0.017 local terms energy: -30.643964 where: bonds (distance) C4'-P energy: -8.279 bonds (distance) P-C4' energy: -8.171 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -4.805 tors. eta vs tors. theta energy: -0.752 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: 1 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -46.806884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.806884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.806884 (E_RNA) where: Base-Base interactions energy: -18.768 where: short stacking energy: -18.768 Base-Backbone interact. energy: -0.000 local terms energy: -28.038976 where: bonds (distance) C4'-P energy: -6.681 bonds (distance) P-C4' energy: -5.604 flat angles C4'-P-C4' energy: -6.211 flat angles P-C4'-P energy: -4.288 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: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -47.230170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.230170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.230170 (E_RNA) where: Base-Base interactions energy: -16.584 where: short stacking energy: -16.584 Base-Backbone interact. energy: -0.099 local terms energy: -30.547496 where: bonds (distance) C4'-P energy: -5.124 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -4.821 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: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -38.699233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.699233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.699233 (E_RNA) where: Base-Base interactions energy: -15.898 where: short stacking energy: -10.726 Base-Backbone interact. energy: 0.574 local terms energy: -23.375001 where: bonds (distance) C4'-P energy: -2.550 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -5.918 flat angles P-C4'-P energy: -5.956 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: 5 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -67.286259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.286259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.286259 (E_RNA) where: Base-Base interactions energy: -33.105 where: short stacking energy: -31.662 Base-Backbone interact. energy: -0.001 local terms energy: -34.181076 where: bonds (distance) C4'-P energy: -7.100 bonds (distance) P-C4' energy: -8.796 flat angles C4'-P-C4' energy: -6.828 flat angles P-C4'-P energy: -3.360 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -68.200661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.200661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.200661 (E_RNA) where: Base-Base interactions energy: -33.256 where: short stacking energy: -26.594 Base-Backbone interact. energy: -0.039 local terms energy: -34.905094 where: bonds (distance) C4'-P energy: -7.337 bonds (distance) P-C4' energy: -6.631 flat angles C4'-P-C4' energy: -6.940 flat angles P-C4'-P energy: -6.205 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: 3, replica: 3 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -66.806300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.806300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.806300 (E_RNA) where: Base-Base interactions energy: -35.320 where: short stacking energy: -23.673 Base-Backbone interact. energy: -0.003 local terms energy: -31.482718 where: bonds (distance) C4'-P energy: -5.680 bonds (distance) P-C4' energy: -5.740 flat angles C4'-P-C4' energy: -7.713 flat angles P-C4'-P energy: -5.392 tors. eta vs tors. theta energy: -6.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -56.611913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.611913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.611913 (E_RNA) where: Base-Base interactions energy: -24.567 where: short stacking energy: -24.567 Base-Backbone interact. energy: -0.009 local terms energy: -32.035451 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -7.516 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -4.069 tors. eta vs tors. theta energy: -5.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -51.708921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.708921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.708921 (E_RNA) where: Base-Base interactions energy: -21.293 where: short stacking energy: -18.960 Base-Backbone interact. energy: -0.000 local terms energy: -30.415047 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.649 flat angles C4'-P-C4' energy: -3.368 flat angles P-C4'-P energy: -5.997 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: 6, replica: 2 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -49.846993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.846993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.846993 (E_RNA) where: Base-Base interactions energy: -22.090 where: short stacking energy: -22.090 Base-Backbone interact. energy: 0.047 local terms energy: -27.804238 where: bonds (distance) C4'-P energy: -4.404 bonds (distance) P-C4' energy: -3.739 flat angles C4'-P-C4' energy: -7.053 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -6.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -57.248633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.248633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.248633 (E_RNA) where: Base-Base interactions energy: -23.393 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.001 local terms energy: -33.854733 where: bonds (distance) C4'-P energy: -7.774 bonds (distance) P-C4' energy: -6.790 flat angles C4'-P-C4' energy: -6.371 flat angles P-C4'-P energy: -4.224 tors. eta vs tors. theta energy: -8.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -48.533665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.533665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.533665 (E_RNA) where: Base-Base interactions energy: -20.302 where: short stacking energy: -20.095 Base-Backbone interact. energy: -0.003 local terms energy: -28.228919 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -5.776 flat angles C4'-P-C4' energy: -7.475 flat angles P-C4'-P energy: -2.407 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: 9, replica: 7 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -51.181170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.181170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.181170 (E_RNA) where: Base-Base interactions energy: -22.345 where: short stacking energy: -22.345 Base-Backbone interact. energy: -0.005 local terms energy: -28.831387 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -5.788 flat angles C4'-P-C4' energy: -6.540 flat angles P-C4'-P energy: -3.480 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: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -40.229323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.229323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.229323 (E_RNA) where: Base-Base interactions energy: -12.679 where: short stacking energy: -10.804 Base-Backbone interact. energy: -0.009 local terms energy: -27.541734 where: bonds (distance) C4'-P energy: -5.191 bonds (distance) P-C4' energy: -8.146 flat angles C4'-P-C4' energy: -6.557 flat angles P-C4'-P energy: -6.822 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: 1, replica: 5 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -67.976836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.976836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.976836 (E_RNA) where: Base-Base interactions energy: -28.671 where: short stacking energy: -26.211 Base-Backbone interact. energy: -0.001 local terms energy: -39.304825 where: bonds (distance) C4'-P energy: -6.470 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -8.112 flat angles P-C4'-P energy: -7.880 tors. eta vs tors. theta energy: -8.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -65.923039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.923039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.923039 (E_RNA) where: Base-Base interactions energy: -28.228 where: short stacking energy: -28.228 Base-Backbone interact. energy: -0.020 local terms energy: -37.674926 where: bonds (distance) C4'-P energy: -6.896 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -7.823 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -9.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -61.862221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.862221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.862221 (E_RNA) where: Base-Base interactions energy: -26.883 where: short stacking energy: -16.214 Base-Backbone interact. energy: -0.081 local terms energy: -34.898202 where: bonds (distance) C4'-P energy: -4.864 bonds (distance) P-C4' energy: -8.030 flat angles C4'-P-C4' energy: -8.539 flat angles P-C4'-P energy: -6.169 tors. eta vs tors. theta energy: -7.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -61.335146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.335146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.335146 (E_RNA) where: Base-Base interactions energy: -27.389 where: short stacking energy: -27.389 Base-Backbone interact. energy: -0.003 local terms energy: -33.943286 where: bonds (distance) C4'-P energy: -4.578 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -7.598 flat angles P-C4'-P energy: -7.028 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: 5, replica: 10 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -51.700034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.700034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.700034 (E_RNA) where: Base-Base interactions energy: -22.781 where: short stacking energy: -22.781 Base-Backbone interact. energy: -0.007 local terms energy: -28.912273 where: bonds (distance) C4'-P energy: -5.964 bonds (distance) P-C4' energy: -7.995 flat angles C4'-P-C4' energy: -7.021 flat angles P-C4'-P energy: -5.144 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: 6, replica: 4 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -60.323037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.323037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.323037 (E_RNA) where: Base-Base interactions energy: -24.298 where: short stacking energy: -24.298 Base-Backbone interact. energy: -0.000 local terms energy: -36.024646 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -7.055 flat angles C4'-P-C4' energy: -8.939 flat angles P-C4'-P energy: -3.452 tors. eta vs tors. theta energy: -8.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -49.150406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.150406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.150406 (E_RNA) where: Base-Base interactions energy: -19.125 where: short stacking energy: -19.353 Base-Backbone interact. energy: -0.351 local terms energy: -29.673975 where: bonds (distance) C4'-P energy: -8.068 bonds (distance) P-C4' energy: -8.140 flat angles C4'-P-C4' energy: -7.847 flat angles P-C4'-P energy: -2.825 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: 8, replica: 7 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -48.323580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.323580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.323580 (E_RNA) where: Base-Base interactions energy: -20.794 where: short stacking energy: -11.155 Base-Backbone interact. energy: -0.094 local terms energy: -27.435642 where: bonds (distance) C4'-P energy: -4.574 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -6.190 flat angles P-C4'-P energy: -6.624 tors. eta vs tors. theta energy: -1.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -45.338938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.338938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.338938 (E_RNA) where: Base-Base interactions energy: -19.880 where: short stacking energy: -10.865 Base-Backbone interact. energy: -0.056 local terms energy: -25.402106 where: bonds (distance) C4'-P energy: -5.100 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -8.376 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: 2.976 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: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -42.198592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.198592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.198592 (E_RNA) where: Base-Base interactions energy: -22.585 where: short stacking energy: -10.795 Base-Backbone interact. energy: -0.060 local terms energy: -19.553379 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -4.844 flat angles C4'-P-C4' energy: -4.761 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: 1.418 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: 9 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -63.155169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.155169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.155169 (E_RNA) where: Base-Base interactions energy: -28.234 where: short stacking energy: -28.234 Base-Backbone interact. energy: -0.070 local terms energy: -34.851547 where: bonds (distance) C4'-P energy: -6.872 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -7.856 flat angles P-C4'-P energy: -2.910 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: 2, replica: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -74.740909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.740909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.740909 (E_RNA) where: Base-Base interactions energy: -41.394 where: short stacking energy: -31.830 Base-Backbone interact. energy: -0.046 local terms energy: -33.301000 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -8.576 flat angles C4'-P-C4' energy: -7.294 flat angles P-C4'-P energy: -5.263 tors. eta vs tors. theta energy: -4.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -69.528854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.528854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.528854 (E_RNA) where: Base-Base interactions energy: -30.178 where: short stacking energy: -30.178 Base-Backbone interact. energy: -0.000 local terms energy: -39.350867 where: bonds (distance) C4'-P energy: -8.441 bonds (distance) P-C4' energy: -8.404 flat angles C4'-P-C4' energy: -6.837 flat angles P-C4'-P energy: -4.778 tors. eta vs tors. theta energy: -10.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -47.762691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.762691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.762691 (E_RNA) where: Base-Base interactions energy: -19.274 where: short stacking energy: -19.274 Base-Backbone interact. energy: -0.066 local terms energy: -28.422926 where: bonds (distance) C4'-P energy: -6.826 bonds (distance) P-C4' energy: -8.211 flat angles C4'-P-C4' energy: -5.708 flat angles P-C4'-P energy: -4.401 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: 5, replica: 4 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -47.536577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.536577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.536577 (E_RNA) where: Base-Base interactions energy: -20.958 where: short stacking energy: -18.638 Base-Backbone interact. energy: -0.066 local terms energy: -26.512597 where: bonds (distance) C4'-P energy: -6.255 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -6.063 flat angles P-C4'-P energy: -2.212 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: 10 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -54.496404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.496404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.496404 (E_RNA) where: Base-Base interactions energy: -27.368 where: short stacking energy: -17.577 Base-Backbone interact. energy: -0.102 local terms energy: -27.026598 where: bonds (distance) C4'-P energy: -5.883 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -6.231 flat angles P-C4'-P energy: -6.258 tors. eta vs tors. theta energy: -1.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -53.082220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.082220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.082220 (E_RNA) where: Base-Base interactions energy: -22.131 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.004 local terms energy: -30.947198 where: bonds (distance) C4'-P energy: -4.011 bonds (distance) P-C4' energy: -7.787 flat angles C4'-P-C4' energy: -6.678 flat angles P-C4'-P energy: -4.213 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -51.048290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.048290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.048290 (E_RNA) where: Base-Base interactions energy: -19.607 where: short stacking energy: -19.607 Base-Backbone interact. energy: -0.006 local terms energy: -31.434402 where: bonds (distance) C4'-P energy: -6.955 bonds (distance) P-C4' energy: -8.401 flat angles C4'-P-C4' energy: -7.760 flat angles P-C4'-P energy: -2.528 tors. eta vs tors. theta energy: -5.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -42.155045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.155045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.155045 (E_RNA) where: Base-Base interactions energy: -16.999 where: short stacking energy: -15.190 Base-Backbone interact. energy: 0.370 local terms energy: -25.525539 where: bonds (distance) C4'-P energy: -5.279 bonds (distance) P-C4' energy: -6.548 flat angles C4'-P-C4' energy: -7.917 flat angles P-C4'-P energy: -4.834 tors. eta vs tors. theta energy: -0.948 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: 10, replica: 8 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -36.791113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.791113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.791113 (E_RNA) where: Base-Base interactions energy: -12.692 where: short stacking energy: -12.692 Base-Backbone interact. energy: -0.000 local terms energy: -24.099024 where: bonds (distance) C4'-P energy: -6.557 bonds (distance) P-C4' energy: -8.372 flat angles C4'-P-C4' energy: -7.260 flat angles P-C4'-P energy: -4.132 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: 1, replica: 9 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -66.569346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.569346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.569346 (E_RNA) where: Base-Base interactions energy: -31.084 where: short stacking energy: -31.084 Base-Backbone interact. energy: -0.000 local terms energy: -35.485775 where: bonds (distance) C4'-P energy: -5.137 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -5.645 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: 2, replica: 6 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -69.704583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.704583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.704583 (E_RNA) where: Base-Base interactions energy: -33.229 where: short stacking energy: -29.498 Base-Backbone interact. energy: -0.000 local terms energy: -36.475860 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -7.003 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -7.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -63.542802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.542802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.542802 (E_RNA) where: Base-Base interactions energy: -30.342 where: short stacking energy: -22.967 Base-Backbone interact. energy: -0.007 local terms energy: -33.192873 where: bonds (distance) C4'-P energy: -8.404 bonds (distance) P-C4' energy: -6.615 flat angles C4'-P-C4' energy: -7.953 flat angles P-C4'-P energy: -6.094 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: 4, replica: 4 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -67.670290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.670290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.670290 (E_RNA) where: Base-Base interactions energy: -30.533 where: short stacking energy: -29.658 Base-Backbone interact. energy: -0.000 local terms energy: -37.137231 where: bonds (distance) C4'-P energy: -5.332 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -6.644 flat angles P-C4'-P energy: -6.214 tors. eta vs tors. theta energy: -9.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -50.550999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.550999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.550999 (E_RNA) where: Base-Base interactions energy: -18.982 where: short stacking energy: -18.236 Base-Backbone interact. energy: -0.000 local terms energy: -31.568730 where: bonds (distance) C4'-P energy: -6.273 bonds (distance) P-C4' energy: -9.289 flat angles C4'-P-C4' energy: -6.507 flat angles P-C4'-P energy: -5.350 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: 6, replica: 7 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -55.497659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.497659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.497659 (E_RNA) where: Base-Base interactions energy: -21.860 where: short stacking energy: -21.860 Base-Backbone interact. energy: -0.094 local terms energy: -33.543113 where: bonds (distance) C4'-P energy: -7.792 bonds (distance) P-C4' energy: -8.305 flat angles C4'-P-C4' energy: -7.263 flat angles P-C4'-P energy: -3.522 tors. eta vs tors. theta energy: -6.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -51.426257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.426257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.426257 (E_RNA) where: Base-Base interactions energy: -24.549 where: short stacking energy: -18.715 Base-Backbone interact. energy: -0.048 local terms energy: -26.829083 where: bonds (distance) C4'-P energy: -6.901 bonds (distance) P-C4' energy: -7.752 flat angles C4'-P-C4' energy: -5.019 flat angles P-C4'-P energy: -6.573 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: 8, replica: 1 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -44.134496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.134496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.134496 (E_RNA) where: Base-Base interactions energy: -14.083 where: short stacking energy: -14.083 Base-Backbone interact. energy: -0.017 local terms energy: -30.034596 where: bonds (distance) C4'-P energy: -7.754 bonds (distance) P-C4' energy: -7.820 flat angles C4'-P-C4' energy: -8.533 flat angles P-C4'-P energy: -5.354 tors. eta vs tors. theta energy: -0.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -42.158703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.158703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.158703 (E_RNA) where: Base-Base interactions energy: -15.710 where: short stacking energy: -15.710 Base-Backbone interact. energy: -0.004 local terms energy: -26.444736 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -5.977 flat angles C4'-P-C4' energy: -6.873 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -3.633 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: 8 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -40.861761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.861761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.861761 (E_RNA) where: Base-Base interactions energy: -12.951 where: short stacking energy: -13.051 Base-Backbone interact. energy: -0.018 local terms energy: -27.892540 where: bonds (distance) C4'-P energy: -6.503 bonds (distance) P-C4' energy: -7.947 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -3.960 tors. eta vs tors. theta energy: -3.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -66.654957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.654957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.654957 (E_RNA) where: Base-Base interactions energy: -29.579 where: short stacking energy: -29.579 Base-Backbone interact. energy: -0.000 local terms energy: -37.076044 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.784 flat angles P-C4'-P energy: -5.055 tors. eta vs tors. theta energy: -7.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -67.565802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.565802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.565802 (E_RNA) where: Base-Base interactions energy: -31.976 where: short stacking energy: -31.976 Base-Backbone interact. energy: -0.011 local terms energy: -35.578193 where: bonds (distance) C4'-P energy: -6.114 bonds (distance) P-C4' energy: -6.679 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -5.239 tors. eta vs tors. theta energy: -9.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -61.937128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.937128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.937128 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -28.609 Base-Backbone interact. energy: -0.000 local terms energy: -32.546902 where: bonds (distance) C4'-P energy: -4.453 bonds (distance) P-C4' energy: -6.293 flat angles C4'-P-C4' energy: -8.085 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -7.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -48.509435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.509435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.509435 (E_RNA) where: Base-Base interactions energy: -19.191 where: short stacking energy: -9.322 Base-Backbone interact. energy: -0.741 local terms energy: -28.576836 where: bonds (distance) C4'-P energy: -8.102 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.940 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -1.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -58.228918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.228918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.228918 (E_RNA) where: Base-Base interactions energy: -21.600 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.000 local terms energy: -36.628578 where: bonds (distance) C4'-P energy: -7.642 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.196 flat angles P-C4'-P energy: -5.866 tors. eta vs tors. theta energy: -6.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -57.232733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.232733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.232733 (E_RNA) where: Base-Base interactions energy: -29.277 where: short stacking energy: -16.928 Base-Backbone interact. energy: -0.006 local terms energy: -27.949789 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -8.153 flat angles C4'-P-C4' energy: -3.883 flat angles P-C4'-P energy: -5.580 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: 1 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -47.408849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.408849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.408849 (E_RNA) where: Base-Base interactions energy: -17.435 where: short stacking energy: -17.435 Base-Backbone interact. energy: -0.000 local terms energy: -29.973888 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -7.797 flat angles C4'-P-C4' energy: -3.932 flat angles P-C4'-P energy: -4.481 tors. eta vs tors. theta energy: -5.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -43.957708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.957708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.957708 (E_RNA) where: Base-Base interactions energy: -15.164 where: short stacking energy: -15.164 Base-Backbone interact. energy: -0.049 local terms energy: -28.744821 where: bonds (distance) C4'-P energy: -5.564 bonds (distance) P-C4' energy: -8.175 flat angles C4'-P-C4' energy: -8.060 flat angles P-C4'-P energy: -4.071 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: 9, replica: 8 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -44.707035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.707035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.707035 (E_RNA) where: Base-Base interactions energy: -14.621 where: short stacking energy: -13.864 Base-Backbone interact. energy: -0.001 local terms energy: -30.085238 where: bonds (distance) C4'-P energy: -6.744 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -7.046 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -1.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -43.553922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.553922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.553922 (E_RNA) where: Base-Base interactions energy: -17.152 where: short stacking energy: -17.152 Base-Backbone interact. energy: -0.003 local terms energy: -26.399122 where: bonds (distance) C4'-P energy: -4.889 bonds (distance) P-C4' energy: -9.127 flat angles C4'-P-C4' energy: -5.665 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -0.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -66.332580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.332580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.332580 (E_RNA) where: Base-Base interactions energy: -31.846 where: short stacking energy: -31.846 Base-Backbone interact. energy: -0.051 local terms energy: -34.436095 where: bonds (distance) C4'-P energy: -7.009 bonds (distance) P-C4' energy: -7.594 flat angles C4'-P-C4' energy: -8.392 flat angles P-C4'-P energy: -5.161 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: 6 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -54.347056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.347056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.347056 (E_RNA) where: Base-Base interactions energy: -20.077 where: short stacking energy: -13.245 Base-Backbone interact. energy: -0.001 local terms energy: -34.269103 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.145 flat angles P-C4'-P energy: -4.718 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: 3, replica: 4 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -62.996663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.996663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.996663 (E_RNA) where: Base-Base interactions energy: -28.139 where: short stacking energy: -25.673 Base-Backbone interact. energy: -0.000 local terms energy: -34.857961 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -6.284 flat angles C4'-P-C4' energy: -7.000 flat angles P-C4'-P energy: -4.713 tors. eta vs tors. theta energy: -9.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -59.169702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.169702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.169702 (E_RNA) where: Base-Base interactions energy: -24.484 where: short stacking energy: -24.484 Base-Backbone interact. energy: -0.000 local terms energy: -34.685922 where: bonds (distance) C4'-P energy: -7.207 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -6.055 flat angles P-C4'-P energy: -4.763 tors. eta vs tors. theta energy: -7.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -66.844662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.844662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.844662 (E_RNA) where: Base-Base interactions energy: -32.845 where: short stacking energy: -21.850 Base-Backbone interact. energy: -0.001 local terms energy: -33.997776 where: bonds (distance) C4'-P energy: -7.145 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -6.759 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -5.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -51.952117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.952117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.952117 (E_RNA) where: Base-Base interactions energy: -21.751 where: short stacking energy: -21.751 Base-Backbone interact. energy: -0.001 local terms energy: -30.200533 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -5.116 flat angles P-C4'-P energy: -5.052 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: 7, replica: 1 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -59.656883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.656883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.656883 (E_RNA) where: Base-Base interactions energy: -25.818 where: short stacking energy: -25.818 Base-Backbone interact. energy: -0.108 local terms energy: -33.731148 where: bonds (distance) C4'-P energy: -5.324 bonds (distance) P-C4' energy: -8.253 flat angles C4'-P-C4' energy: -8.332 flat angles P-C4'-P energy: -5.408 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -48.050469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.050469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.050469 (E_RNA) where: Base-Base interactions energy: -18.325 where: short stacking energy: -18.325 Base-Backbone interact. energy: -0.087 local terms energy: -29.638223 where: bonds (distance) C4'-P energy: -7.162 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -5.717 flat angles P-C4'-P energy: -1.852 tors. eta vs tors. theta energy: -6.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -52.584076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.584076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.584076 (E_RNA) where: Base-Base interactions energy: -32.026 where: short stacking energy: -19.832 Base-Backbone interact. energy: -0.002 local terms energy: -20.556244 where: bonds (distance) C4'-P energy: -4.020 bonds (distance) P-C4' energy: -6.019 flat angles C4'-P-C4' energy: -4.532 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: -3.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -50.356142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.356142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.356142 (E_RNA) where: Base-Base interactions energy: -21.606 where: short stacking energy: -18.065 Base-Backbone interact. energy: -0.052 local terms energy: -28.698314 where: bonds (distance) C4'-P energy: -5.662 bonds (distance) P-C4' energy: -9.081 flat angles C4'-P-C4' energy: -3.922 flat angles P-C4'-P energy: -5.774 tors. eta vs tors. theta energy: -4.259 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: 9 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -62.195204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.195204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.195204 (E_RNA) where: Base-Base interactions energy: -23.962 where: short stacking energy: -23.962 Base-Backbone interact. energy: -0.037 local terms energy: -38.195979 where: bonds (distance) C4'-P energy: -8.697 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.588 flat angles P-C4'-P energy: -5.912 tors. eta vs tors. theta energy: -6.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -65.468340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.468340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.468340 (E_RNA) where: Base-Base interactions energy: -29.379 where: short stacking energy: -27.157 Base-Backbone interact. energy: -0.000 local terms energy: -36.089154 where: bonds (distance) C4'-P energy: -7.845 bonds (distance) P-C4' energy: -8.808 flat angles C4'-P-C4' energy: -7.830 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -7.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -54.146748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.146748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.146748 (E_RNA) where: Base-Base interactions energy: -21.814 where: short stacking energy: -11.742 Base-Backbone interact. energy: -0.058 local terms energy: -32.274255 where: bonds (distance) C4'-P energy: -8.006 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -9.324 flat angles P-C4'-P energy: -1.808 tors. eta vs tors. theta energy: -3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -53.298156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.298156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.298156 (E_RNA) where: Base-Base interactions energy: -18.954 where: short stacking energy: -18.954 Base-Backbone interact. energy: -0.043 local terms energy: -34.301969 where: bonds (distance) C4'-P energy: -7.757 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -8.084 flat angles P-C4'-P energy: -4.879 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: 5, replica: 5 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -55.357150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.357150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.357150 (E_RNA) where: Base-Base interactions energy: -33.009 where: short stacking energy: -11.951 Base-Backbone interact. energy: -0.038 local terms energy: -22.310745 where: bonds (distance) C4'-P energy: -5.712 bonds (distance) P-C4' energy: -7.013 flat angles C4'-P-C4' energy: -7.078 flat angles P-C4'-P energy: -3.597 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: 6, replica: 3 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -45.574027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.574027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.574027 (E_RNA) where: Base-Base interactions energy: -14.708 where: short stacking energy: -14.708 Base-Backbone interact. energy: 0.683 local terms energy: -31.549767 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -8.308 flat angles C4'-P-C4' energy: -5.185 flat angles P-C4'-P energy: -6.524 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: 7, replica: 8 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -62.137505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.137505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.137505 (E_RNA) where: Base-Base interactions energy: -27.208 where: short stacking energy: -17.511 Base-Backbone interact. energy: -0.743 local terms energy: -34.186294 where: bonds (distance) C4'-P energy: -6.889 bonds (distance) P-C4' energy: -8.886 flat angles C4'-P-C4' energy: -9.048 flat angles P-C4'-P energy: -4.777 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: 8, replica: 1 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -49.422935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.422935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.422935 (E_RNA) where: Base-Base interactions energy: -22.347 where: short stacking energy: -21.423 Base-Backbone interact. energy: -0.053 local terms energy: -27.022995 where: bonds (distance) C4'-P energy: -5.170 bonds (distance) P-C4' energy: -6.583 flat angles C4'-P-C4' energy: -7.009 flat angles P-C4'-P energy: -4.582 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: 9, replica: 2 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -44.241117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.241117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.241117 (E_RNA) where: Base-Base interactions energy: -17.025 where: short stacking energy: -16.021 Base-Backbone interact. energy: -0.011 local terms energy: -27.204618 where: bonds (distance) C4'-P energy: -6.831 bonds (distance) P-C4' energy: -7.263 flat angles C4'-P-C4' energy: -8.290 flat angles P-C4'-P energy: -2.699 tors. eta vs tors. theta energy: -2.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -42.179779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.179779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.179779 (E_RNA) where: Base-Base interactions energy: -20.544 where: short stacking energy: -11.366 Base-Backbone interact. energy: -0.181 local terms energy: -21.454770 where: bonds (distance) C4'-P energy: -7.013 bonds (distance) P-C4' energy: -5.963 flat angles C4'-P-C4' energy: -7.630 flat angles P-C4'-P energy: -1.722 tors. eta vs tors. theta energy: 0.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -63.819278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.819278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.819278 (E_RNA) where: Base-Base interactions energy: -28.720 where: short stacking energy: -19.594 Base-Backbone interact. energy: -0.747 local terms energy: -34.352375 where: bonds (distance) C4'-P energy: -8.449 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -2.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -63.261277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.261277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.261277 (E_RNA) where: Base-Base interactions energy: -29.049 where: short stacking energy: -29.049 Base-Backbone interact. energy: -0.025 local terms energy: -34.186925 where: bonds (distance) C4'-P energy: -4.393 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -5.891 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -9.220 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: 6 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -63.428413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.428413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.428413 (E_RNA) where: Base-Base interactions energy: -32.142 where: short stacking energy: -31.269 Base-Backbone interact. energy: -0.000 local terms energy: -31.286350 where: bonds (distance) C4'-P energy: -3.764 bonds (distance) P-C4' energy: -5.935 flat angles C4'-P-C4' energy: -7.487 flat angles P-C4'-P energy: -5.820 tors. eta vs tors. theta energy: -8.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -56.764224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.764224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.764224 (E_RNA) where: Base-Base interactions energy: -26.088 where: short stacking energy: -20.500 Base-Backbone interact. energy: -0.001 local terms energy: -30.675039 where: bonds (distance) C4'-P energy: -5.109 bonds (distance) P-C4' energy: -8.343 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -5.644 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: 5, replica: 4 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -60.532675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.532675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.532675 (E_RNA) where: Base-Base interactions energy: -23.390 where: short stacking energy: -23.390 Base-Backbone interact. energy: -0.000 local terms energy: -37.142674 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -9.066 flat angles C4'-P-C4' energy: -7.040 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -7.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -46.864395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.864395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.864395 (E_RNA) where: Base-Base interactions energy: -22.274 where: short stacking energy: -18.390 Base-Backbone interact. energy: -0.605 local terms energy: -23.984820 where: bonds (distance) C4'-P energy: -5.493 bonds (distance) P-C4' energy: -7.789 flat angles C4'-P-C4' energy: -3.854 flat angles P-C4'-P energy: -4.663 tors. eta vs tors. theta energy: -2.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -50.688271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.688271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.688271 (E_RNA) where: Base-Base interactions energy: -17.561 where: short stacking energy: -15.277 Base-Backbone interact. energy: -0.175 local terms energy: -32.951340 where: bonds (distance) C4'-P energy: -6.507 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -8.399 flat angles P-C4'-P energy: -6.668 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -52.366285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.366285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.366285 (E_RNA) where: Base-Base interactions energy: -20.461 where: short stacking energy: -19.356 Base-Backbone interact. energy: -0.062 local terms energy: -31.842546 where: bonds (distance) C4'-P energy: -7.746 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -5.430 flat angles P-C4'-P energy: -2.445 tors. eta vs tors. theta energy: -8.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -42.732128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.732128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.732128 (E_RNA) where: Base-Base interactions energy: -11.890 where: short stacking energy: -11.890 Base-Backbone interact. energy: -0.005 local terms energy: -30.837494 where: bonds (distance) C4'-P energy: -7.223 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.620 flat angles P-C4'-P energy: -3.986 tors. eta vs tors. theta energy: -2.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -41.224957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.224957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.224957 (E_RNA) where: Base-Base interactions energy: -17.389 where: short stacking energy: -17.389 Base-Backbone interact. energy: -0.002 local terms energy: -23.833969 where: bonds (distance) C4'-P energy: -8.395 bonds (distance) P-C4' energy: -6.339 flat angles C4'-P-C4' energy: -3.493 flat angles P-C4'-P energy: -3.240 tors. eta vs tors. theta energy: -2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -73.603599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.603599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.603599 (E_RNA) where: Base-Base interactions energy: -35.781 where: short stacking energy: -35.781 Base-Backbone interact. energy: -0.000 local terms energy: -37.822703 where: bonds (distance) C4'-P energy: -6.851 bonds (distance) P-C4' energy: -7.573 flat angles C4'-P-C4' energy: -7.156 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -11.481 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: 482 Temperature: 0.950000 Total energy: -71.550034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.550034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.550034 (E_RNA) where: Base-Base interactions energy: -35.919 where: short stacking energy: -24.432 Base-Backbone interact. energy: -0.067 local terms energy: -35.564055 where: bonds (distance) C4'-P energy: -5.892 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.267 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -6.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -54.441012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.441012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.441012 (E_RNA) where: Base-Base interactions energy: -22.157 where: short stacking energy: -22.157 Base-Backbone interact. energy: -0.001 local terms energy: -32.282391 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -6.619 flat angles P-C4'-P energy: -2.589 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: 4, replica: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -68.234303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.234303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.234303 (E_RNA) where: Base-Base interactions energy: -31.915 where: short stacking energy: -18.956 Base-Backbone interact. energy: -0.113 local terms energy: -36.206532 where: bonds (distance) C4'-P energy: -7.994 bonds (distance) P-C4' energy: -8.411 flat angles C4'-P-C4' energy: -8.002 flat angles P-C4'-P energy: -5.107 tors. eta vs tors. theta energy: -6.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -52.378066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.378066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.378066 (E_RNA) where: Base-Base interactions energy: -19.937 where: short stacking energy: -19.937 Base-Backbone interact. energy: -0.000 local terms energy: -32.441292 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -8.407 flat angles C4'-P-C4' energy: -5.882 flat angles P-C4'-P energy: -3.511 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: 6, replica: 4 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -48.911127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.911127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.911127 (E_RNA) where: Base-Base interactions energy: -17.306 where: short stacking energy: -14.541 Base-Backbone interact. energy: -0.164 local terms energy: -31.441190 where: bonds (distance) C4'-P energy: -6.859 bonds (distance) P-C4' energy: -8.637 flat angles C4'-P-C4' energy: -5.894 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -3.583 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: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -56.708138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.708138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.708138 (E_RNA) where: Base-Base interactions energy: -19.064 where: short stacking energy: -19.064 Base-Backbone interact. energy: -0.000 local terms energy: -37.644233 where: bonds (distance) C4'-P energy: -6.702 bonds (distance) P-C4' energy: -9.327 flat angles C4'-P-C4' energy: -8.082 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -7.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -58.956334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.956334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.956334 (E_RNA) where: Base-Base interactions energy: -24.338 where: short stacking energy: -20.133 Base-Backbone interact. energy: -0.000 local terms energy: -34.618108 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.481 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -7.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -41.698538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.698538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.698538 (E_RNA) where: Base-Base interactions energy: -14.135 where: short stacking energy: -11.197 Base-Backbone interact. energy: -0.865 local terms energy: -26.698929 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -9.342 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -4.652 tors. eta vs tors. theta energy: 2.312 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: 1 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -45.934683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.934683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.934683 (E_RNA) where: Base-Base interactions energy: -14.380 where: short stacking energy: -14.380 Base-Backbone interact. energy: -0.000 local terms energy: -31.554554 where: bonds (distance) C4'-P energy: -6.213 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -8.019 flat angles P-C4'-P energy: -5.402 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: 7 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -72.237846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.237846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.237846 (E_RNA) where: Base-Base interactions energy: -31.507 where: short stacking energy: -31.507 Base-Backbone interact. energy: -0.000 local terms energy: -40.730597 where: bonds (distance) C4'-P energy: -6.814 bonds (distance) P-C4' energy: -7.854 flat angles C4'-P-C4' energy: -7.022 flat angles P-C4'-P energy: -7.171 tors. eta vs tors. theta energy: -11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -66.073881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.073881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.073881 (E_RNA) where: Base-Base interactions energy: -33.170 where: short stacking energy: -28.373 Base-Backbone interact. energy: -0.020 local terms energy: -32.883706 where: bonds (distance) C4'-P energy: -4.383 bonds (distance) P-C4' energy: -9.094 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -4.610 tors. eta vs tors. theta energy: -6.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -59.138841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.138841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.138841 (E_RNA) where: Base-Base interactions energy: -28.836 where: short stacking energy: -19.672 Base-Backbone interact. energy: -1.529 local terms energy: -28.773214 where: bonds (distance) C4'-P energy: -5.688 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -4.912 flat angles P-C4'-P energy: -5.014 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: 4, replica: 8 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -59.144598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.144598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.144598 (E_RNA) where: Base-Base interactions energy: -22.335 where: short stacking energy: -22.335 Base-Backbone interact. energy: -0.014 local terms energy: -36.795766 where: bonds (distance) C4'-P energy: -9.028 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -7.949 flat angles P-C4'-P energy: -5.806 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: 5, replica: 6 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -63.480541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.480541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.480541 (E_RNA) where: Base-Base interactions energy: -29.246 where: short stacking energy: -26.661 Base-Backbone interact. energy: -0.000 local terms energy: -34.234047 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -7.858 flat angles C4'-P-C4' energy: -7.441 flat angles P-C4'-P energy: -7.286 tors. eta vs tors. theta energy: -6.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -49.493646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.493646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.493646 (E_RNA) where: Base-Base interactions energy: -22.119 where: short stacking energy: -15.819 Base-Backbone interact. energy: -0.099 local terms energy: -27.276072 where: bonds (distance) C4'-P energy: -6.689 bonds (distance) P-C4' energy: -7.065 flat angles C4'-P-C4' energy: -7.696 flat angles P-C4'-P energy: -3.873 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: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -51.114563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.114563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.114563 (E_RNA) where: Base-Base interactions energy: -22.089 where: short stacking energy: -22.089 Base-Backbone interact. energy: -0.004 local terms energy: -29.021750 where: bonds (distance) C4'-P energy: -2.695 bonds (distance) P-C4' energy: -8.429 flat angles C4'-P-C4' energy: -8.104 flat angles P-C4'-P energy: -5.001 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: 8, replica: 10 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -45.596677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.596677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.596677 (E_RNA) where: Base-Base interactions energy: -14.975 where: short stacking energy: -14.975 Base-Backbone interact. energy: -0.079 local terms energy: -30.542306 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -9.324 flat angles C4'-P-C4' energy: -6.447 flat angles P-C4'-P energy: -5.330 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: 9, replica: 3 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -45.077071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.077071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.077071 (E_RNA) where: Base-Base interactions energy: -16.933 where: short stacking energy: -16.933 Base-Backbone interact. energy: -0.007 local terms energy: -28.136814 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -5.662 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -5.874 tors. eta vs tors. theta energy: -3.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -41.228610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.228610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.228610 (E_RNA) where: Base-Base interactions energy: -16.960 where: short stacking energy: -16.792 Base-Backbone interact. energy: -0.095 local terms energy: -24.173514 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -7.037 flat angles C4'-P-C4' energy: -5.819 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: 1.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -60.592498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.592498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.592498 (E_RNA) where: Base-Base interactions energy: -25.118 where: short stacking energy: -23.966 Base-Backbone interact. energy: -0.010 local terms energy: -35.463965 where: bonds (distance) C4'-P energy: -7.828 bonds (distance) P-C4' energy: -7.784 flat angles C4'-P-C4' energy: -8.881 flat angles P-C4'-P energy: -6.223 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: 2, replica: 7 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -67.473855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.473855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.473855 (E_RNA) where: Base-Base interactions energy: -27.670 where: short stacking energy: -27.670 Base-Backbone interact. energy: -0.000 local terms energy: -39.803795 where: bonds (distance) C4'-P energy: -8.163 bonds (distance) P-C4' energy: -8.559 flat angles C4'-P-C4' energy: -9.092 flat angles P-C4'-P energy: -5.669 tors. eta vs tors. theta energy: -8.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -56.323996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.323996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.323996 (E_RNA) where: Base-Base interactions energy: -23.296 where: short stacking energy: -18.756 Base-Backbone interact. energy: -0.008 local terms energy: -33.019346 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.112 flat angles C4'-P-C4' energy: -8.645 flat angles P-C4'-P energy: -3.996 tors. eta vs tors. theta energy: -4.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -52.594984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.594984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.594984 (E_RNA) where: Base-Base interactions energy: -21.145 where: short stacking energy: -15.107 Base-Backbone interact. energy: -0.030 local terms energy: -31.419748 where: bonds (distance) C4'-P energy: -8.921 bonds (distance) P-C4' energy: -8.013 flat angles C4'-P-C4' energy: -5.929 flat angles P-C4'-P energy: -5.836 tors. eta vs tors. theta energy: -2.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -58.827897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.827897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.827897 (E_RNA) where: Base-Base interactions energy: -23.930 where: short stacking energy: -23.930 Base-Backbone interact. energy: -0.000 local terms energy: -34.898260 where: bonds (distance) C4'-P energy: -6.318 bonds (distance) P-C4' energy: -8.196 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -3.831 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: 6, replica: 6 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -52.563677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.563677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.563677 (E_RNA) where: Base-Base interactions energy: -21.115 where: short stacking energy: -21.115 Base-Backbone interact. energy: -0.005 local terms energy: -31.443739 where: bonds (distance) C4'-P energy: -5.588 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -6.981 flat angles P-C4'-P energy: -4.328 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: 7, replica: 10 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -51.801711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.801711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.801711 (E_RNA) where: Base-Base interactions energy: -18.877 where: short stacking energy: -18.877 Base-Backbone interact. energy: -0.000 local terms energy: -32.924553 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -7.410 flat angles P-C4'-P energy: -3.936 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: 2 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -51.310272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.310272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.310272 (E_RNA) where: Base-Base interactions energy: -22.734 where: short stacking energy: -22.734 Base-Backbone interact. energy: -0.000 local terms energy: -28.575971 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.756 flat angles C4'-P-C4' energy: -0.481 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -48.825130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.825130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.825130 (E_RNA) where: Base-Base interactions energy: -26.573 where: short stacking energy: -10.816 Base-Backbone interact. energy: -0.001 local terms energy: -22.251476 where: bonds (distance) C4'-P energy: -5.692 bonds (distance) P-C4' energy: -4.589 flat angles C4'-P-C4' energy: -5.429 flat angles P-C4'-P energy: -3.611 tors. eta vs tors. theta energy: -2.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 1 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -46.568751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.568751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.568751 (E_RNA) where: Base-Base interactions energy: -22.495 where: short stacking energy: -11.691 Base-Backbone interact. energy: -0.010 local terms energy: -24.063386 where: bonds (distance) C4'-P energy: -3.105 bonds (distance) P-C4' energy: -8.168 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -3.645 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: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -67.189864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.189864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.189864 (E_RNA) where: Base-Base interactions energy: -31.536 where: short stacking energy: -31.536 Base-Backbone interact. energy: -0.039 local terms energy: -35.614798 where: bonds (distance) C4'-P energy: -3.817 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -8.581 flat angles P-C4'-P energy: -5.322 tors. eta vs tors. theta energy: -9.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -65.232521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.232521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.232521 (E_RNA) where: Base-Base interactions energy: -28.590 where: short stacking energy: -28.590 Base-Backbone interact. energy: -0.000 local terms energy: -36.642501 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -6.744 flat angles C4'-P-C4' energy: -6.631 flat angles P-C4'-P energy: -6.168 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: 3, replica: 7 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -59.718222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.718222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.718222 (E_RNA) where: Base-Base interactions energy: -24.945 where: short stacking energy: -24.945 Base-Backbone interact. energy: -0.001 local terms energy: -34.771983 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -8.457 flat angles C4'-P-C4' energy: -7.477 flat angles P-C4'-P energy: -4.853 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: 4, replica: 4 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -52.640520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.640520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.640520 (E_RNA) where: Base-Base interactions energy: -19.991 where: short stacking energy: -19.991 Base-Backbone interact. energy: -0.087 local terms energy: -32.562529 where: bonds (distance) C4'-P energy: -7.046 bonds (distance) P-C4' energy: -8.633 flat angles C4'-P-C4' energy: -9.409 flat angles P-C4'-P energy: -3.999 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: 5, replica: 9 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -49.470848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.470848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.470848 (E_RNA) where: Base-Base interactions energy: -20.545 where: short stacking energy: -12.091 Base-Backbone interact. energy: 0.303 local terms energy: -29.228163 where: bonds (distance) C4'-P energy: -8.110 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -5.981 tors. eta vs tors. theta energy: -0.291 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: 10 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -58.196689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.196689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.196689 (E_RNA) where: Base-Base interactions energy: -22.612 where: short stacking energy: -22.612 Base-Backbone interact. energy: -0.002 local terms energy: -35.583280 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -9.061 flat angles P-C4'-P energy: -3.808 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: 7, replica: 6 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -48.228425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.228425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.228425 (E_RNA) where: Base-Base interactions energy: -23.025 where: short stacking energy: -23.025 Base-Backbone interact. energy: 0.388 local terms energy: -25.591828 where: bonds (distance) C4'-P energy: -7.283 bonds (distance) P-C4' energy: -8.368 flat angles C4'-P-C4' energy: -1.981 flat angles P-C4'-P energy: -2.145 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: 8, replica: 3 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -47.770831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.770831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.770831 (E_RNA) where: Base-Base interactions energy: -15.911 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.016 local terms energy: -31.844075 where: bonds (distance) C4'-P energy: -7.546 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -7.643 flat angles P-C4'-P energy: -4.889 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: 9, replica: 2 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -51.009579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.009579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.009579 (E_RNA) where: Base-Base interactions energy: -24.566 where: short stacking energy: -24.566 Base-Backbone interact. energy: -0.009 local terms energy: -26.434968 where: bonds (distance) C4'-P energy: -2.500 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.991 flat angles P-C4'-P energy: -4.379 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: 1 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -41.731066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.731066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.731066 (E_RNA) where: Base-Base interactions energy: -17.089 where: short stacking energy: -17.089 Base-Backbone interact. energy: 0.053 local terms energy: -24.694548 where: bonds (distance) C4'-P energy: -5.423 bonds (distance) P-C4' energy: -7.600 flat angles C4'-P-C4' energy: -7.039 flat angles P-C4'-P energy: -3.784 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: 8 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -64.389953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.389953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.389953 (E_RNA) where: Base-Base interactions energy: -27.980 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.000 local terms energy: -36.410040 where: bonds (distance) C4'-P energy: -6.554 bonds (distance) P-C4' energy: -7.885 flat angles C4'-P-C4' energy: -7.798 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -8.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -60.690431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.690431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.690431 (E_RNA) where: Base-Base interactions energy: -30.643 where: short stacking energy: -25.236 Base-Backbone interact. energy: -0.093 local terms energy: -29.954876 where: bonds (distance) C4'-P energy: -5.617 bonds (distance) P-C4' energy: -9.320 flat angles C4'-P-C4' energy: -7.052 flat angles P-C4'-P energy: -2.578 tors. eta vs tors. theta energy: -5.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -61.454337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.454337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.454337 (E_RNA) where: Base-Base interactions energy: -27.162 where: short stacking energy: -27.162 Base-Backbone interact. energy: -0.002 local terms energy: -34.289686 where: bonds (distance) C4'-P energy: -6.685 bonds (distance) P-C4' energy: -5.670 flat angles C4'-P-C4' energy: -6.870 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -9.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -50.228748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.228748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.228748 (E_RNA) where: Base-Base interactions energy: -19.092 where: short stacking energy: -19.092 Base-Backbone interact. energy: -0.000 local terms energy: -31.136381 where: bonds (distance) C4'-P energy: -4.334 bonds (distance) P-C4' energy: -9.563 flat angles C4'-P-C4' energy: -8.866 flat angles P-C4'-P energy: -3.571 tors. eta vs tors. theta energy: -4.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -56.688449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.688449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.688449 (E_RNA) where: Base-Base interactions energy: -24.356 where: short stacking energy: -24.356 Base-Backbone interact. energy: -0.003 local terms energy: -32.329302 where: bonds (distance) C4'-P energy: -7.862 bonds (distance) P-C4' energy: -7.569 flat angles C4'-P-C4' energy: -7.505 flat angles P-C4'-P energy: -4.740 tors. eta vs tors. theta energy: -4.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -52.311327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.311327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.311327 (E_RNA) where: Base-Base interactions energy: -24.896 where: short stacking energy: -24.896 Base-Backbone interact. energy: -0.000 local terms energy: -27.414985 where: bonds (distance) C4'-P energy: -4.935 bonds (distance) P-C4' energy: -5.003 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -3.451 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: 7, replica: 3 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -48.394093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.394093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.394093 (E_RNA) where: Base-Base interactions energy: -15.901 where: short stacking energy: -15.901 Base-Backbone interact. energy: -0.001 local terms energy: -32.491959 where: bonds (distance) C4'-P energy: -7.439 bonds (distance) P-C4' energy: -8.352 flat angles C4'-P-C4' energy: -6.046 flat angles P-C4'-P energy: -6.376 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: 8, replica: 6 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -49.205526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.205526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.205526 (E_RNA) where: Base-Base interactions energy: -19.954 where: short stacking energy: -19.492 Base-Backbone interact. energy: -0.037 local terms energy: -29.213892 where: bonds (distance) C4'-P energy: -4.674 bonds (distance) P-C4' energy: -8.010 flat angles C4'-P-C4' energy: -5.842 flat angles P-C4'-P energy: -3.407 tors. eta vs tors. theta energy: -7.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -46.177884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.177884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.177884 (E_RNA) where: Base-Base interactions energy: -17.801 where: short stacking energy: -17.801 Base-Backbone interact. energy: -0.886 local terms energy: -27.490938 where: bonds (distance) C4'-P energy: -6.496 bonds (distance) P-C4' energy: -6.846 flat angles C4'-P-C4' energy: -6.748 flat angles P-C4'-P energy: -4.646 tors. eta vs tors. theta energy: -2.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -48.855954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.855954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.855954 (E_RNA) where: Base-Base interactions energy: -19.574 where: short stacking energy: -15.767 Base-Backbone interact. energy: 0.225 local terms energy: -29.506375 where: bonds (distance) C4'-P energy: -7.141 bonds (distance) P-C4' energy: -7.305 flat angles C4'-P-C4' energy: -6.707 flat angles P-C4'-P energy: -4.452 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -66.874561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.874561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.874561 (E_RNA) where: Base-Base interactions energy: -28.398 where: short stacking energy: -28.398 Base-Backbone interact. energy: -0.002 local terms energy: -38.474481 where: bonds (distance) C4'-P energy: -7.560 bonds (distance) P-C4' energy: -8.861 flat angles C4'-P-C4' energy: -7.223 flat angles P-C4'-P energy: -7.178 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: 4 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -66.595292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.595292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.595292 (E_RNA) where: Base-Base interactions energy: -30.093 where: short stacking energy: -23.603 Base-Backbone interact. energy: -0.000 local terms energy: -36.501566 where: bonds (distance) C4'-P energy: -7.266 bonds (distance) P-C4' energy: -8.545 flat angles C4'-P-C4' energy: -6.494 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -9.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -66.634609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.634609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.634609 (E_RNA) where: Base-Base interactions energy: -29.930 where: short stacking energy: -29.930 Base-Backbone interact. energy: -0.722 local terms energy: -35.982484 where: bonds (distance) C4'-P energy: -7.320 bonds (distance) P-C4' energy: -7.861 flat angles C4'-P-C4' energy: -6.877 flat angles P-C4'-P energy: -6.470 tors. eta vs tors. theta energy: -7.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -56.888411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.888411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.888411 (E_RNA) where: Base-Base interactions energy: -22.564 where: short stacking energy: -22.564 Base-Backbone interact. energy: -0.000 local terms energy: -34.323918 where: bonds (distance) C4'-P energy: -5.999 bonds (distance) P-C4' energy: -8.781 flat angles C4'-P-C4' energy: -6.478 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -7.673 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: 7 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -51.166219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.166219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.166219 (E_RNA) where: Base-Base interactions energy: -19.792 where: short stacking energy: -19.792 Base-Backbone interact. energy: -0.000 local terms energy: -31.374344 where: bonds (distance) C4'-P energy: -8.156 bonds (distance) P-C4' energy: -7.097 flat angles C4'-P-C4' energy: -6.547 flat angles P-C4'-P energy: -3.804 tors. eta vs tors. theta energy: -5.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -45.600580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.600580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.600580 (E_RNA) where: Base-Base interactions energy: -15.952 where: short stacking energy: -15.952 Base-Backbone interact. energy: -0.004 local terms energy: -29.645371 where: bonds (distance) C4'-P energy: -7.766 bonds (distance) P-C4' energy: -8.898 flat angles C4'-P-C4' energy: -6.438 flat angles P-C4'-P energy: -6.310 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: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -42.499684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.499684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.499684 (E_RNA) where: Base-Base interactions energy: -15.439 where: short stacking energy: -15.439 Base-Backbone interact. energy: -0.059 local terms energy: -27.001187 where: bonds (distance) C4'-P energy: -4.872 bonds (distance) P-C4' energy: -6.879 flat angles C4'-P-C4' energy: -6.760 flat angles P-C4'-P energy: -3.789 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -52.936620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.936620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.936620 (E_RNA) where: Base-Base interactions energy: -24.136 where: short stacking energy: -24.256 Base-Backbone interact. energy: -0.001 local terms energy: -28.799545 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -5.996 flat angles P-C4'-P energy: -3.666 tors. eta vs tors. theta energy: -4.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -37.858072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.858072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.858072 (E_RNA) where: Base-Base interactions energy: -15.896 where: short stacking energy: -13.462 Base-Backbone interact. energy: -0.017 local terms energy: -21.945306 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -8.615 flat angles C4'-P-C4' energy: -4.756 flat angles P-C4'-P energy: -2.913 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -45.650843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.650843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.650843 (E_RNA) where: Base-Base interactions energy: -18.851 where: short stacking energy: -17.926 Base-Backbone interact. energy: -0.583 local terms energy: -26.216465 where: bonds (distance) C4'-P energy: -6.695 bonds (distance) P-C4' energy: -6.702 flat angles C4'-P-C4' energy: -6.891 flat angles P-C4'-P energy: -3.870 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: 1, replica: 4 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -70.554164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.554164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.554164 (E_RNA) where: Base-Base interactions energy: -37.575 where: short stacking energy: -27.989 Base-Backbone interact. energy: -0.016 local terms energy: -32.963729 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -4.987 flat angles P-C4'-P energy: -4.518 tors. eta vs tors. theta energy: -7.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -56.180184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.180184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.180184 (E_RNA) where: Base-Base interactions energy: -21.352 where: short stacking energy: -20.197 Base-Backbone interact. energy: -0.095 local terms energy: -34.732684 where: bonds (distance) C4'-P energy: -7.547 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -5.501 flat angles P-C4'-P energy: -6.499 tors. eta vs tors. theta energy: -5.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -64.678220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.678220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.678220 (E_RNA) where: Base-Base interactions energy: -34.519 where: short stacking energy: -25.472 Base-Backbone interact. energy: -0.001 local terms energy: -30.158376 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -6.097 flat angles C4'-P-C4' energy: -7.711 flat angles P-C4'-P energy: -4.535 tors. eta vs tors. theta energy: -3.740 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: 10 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -61.986142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.986142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.986142 (E_RNA) where: Base-Base interactions energy: -22.750 where: short stacking energy: -22.750 Base-Backbone interact. energy: -0.000 local terms energy: -39.235537 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -7.950 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -10.273 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: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -53.966834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.966834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.966834 (E_RNA) where: Base-Base interactions energy: -24.132 where: short stacking energy: -10.842 Base-Backbone interact. energy: -0.195 local terms energy: -29.639647 where: bonds (distance) C4'-P energy: -7.423 bonds (distance) P-C4' energy: -7.883 flat angles C4'-P-C4' energy: -6.793 flat angles P-C4'-P energy: -4.541 tors. eta vs tors. theta energy: -3.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -55.835406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.835406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.835406 (E_RNA) where: Base-Base interactions energy: -22.510 where: short stacking energy: -22.358 Base-Backbone interact. energy: -0.000 local terms energy: -33.325488 where: bonds (distance) C4'-P energy: -7.604 bonds (distance) P-C4' energy: -5.290 flat angles C4'-P-C4' energy: -8.904 flat angles P-C4'-P energy: -5.315 tors. eta vs tors. theta energy: -6.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -57.267299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.267299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.267299 (E_RNA) where: Base-Base interactions energy: -25.866 where: short stacking energy: -13.828 Base-Backbone interact. energy: -0.003 local terms energy: -31.398688 where: bonds (distance) C4'-P energy: -6.947 bonds (distance) P-C4' energy: -8.594 flat angles C4'-P-C4' energy: -6.443 flat angles P-C4'-P energy: -2.532 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: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -46.190667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.190667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.190667 (E_RNA) where: Base-Base interactions energy: -19.838 where: short stacking energy: -19.838 Base-Backbone interact. energy: -0.070 local terms energy: -26.282187 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -6.266 flat angles C4'-P-C4' energy: -7.958 flat angles P-C4'-P energy: -4.191 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: 9, replica: 1 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -45.540684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.540684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.540684 (E_RNA) where: Base-Base interactions energy: -19.853 where: short stacking energy: -15.609 Base-Backbone interact. energy: -0.146 local terms energy: -25.541687 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -7.598 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -3.054 tors. eta vs tors. theta energy: 0.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -39.268294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.268294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.268294 (E_RNA) where: Base-Base interactions energy: -16.604 where: short stacking energy: -16.251 Base-Backbone interact. energy: -0.063 local terms energy: -22.601990 where: bonds (distance) C4'-P energy: -7.053 bonds (distance) P-C4' energy: -8.181 flat angles C4'-P-C4' energy: -8.468 flat angles P-C4'-P energy: 1.652 tors. eta vs tors. theta energy: -0.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -82.388966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.388966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.388966 (E_RNA) where: Base-Base interactions energy: -44.601 where: short stacking energy: -28.003 Base-Backbone interact. energy: -0.001 local terms energy: -37.786910 where: bonds (distance) C4'-P energy: -7.000 bonds (distance) P-C4' energy: -8.826 flat angles C4'-P-C4' energy: -7.607 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -9.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -64.934846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.934846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.934846 (E_RNA) where: Base-Base interactions energy: -27.540 where: short stacking energy: -25.874 Base-Backbone interact. energy: 0.143 local terms energy: -37.537719 where: bonds (distance) C4'-P energy: -5.646 bonds (distance) P-C4' energy: -9.330 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -6.094 tors. eta vs tors. theta energy: -7.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -48.635375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.635375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.635375 (E_RNA) where: Base-Base interactions energy: -21.331 where: short stacking energy: -20.166 Base-Backbone interact. energy: -0.003 local terms energy: -27.301121 where: bonds (distance) C4'-P energy: -4.802 bonds (distance) P-C4' energy: -8.662 flat angles C4'-P-C4' energy: -7.767 flat angles P-C4'-P energy: -5.551 tors. eta vs tors. theta energy: -0.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -55.942873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.942873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.942873 (E_RNA) where: Base-Base interactions energy: -24.693 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.076 local terms energy: -31.173620 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -6.498 flat angles C4'-P-C4' energy: -8.722 flat angles P-C4'-P energy: -3.541 tors. eta vs tors. theta energy: -4.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -53.963983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.963983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.963983 (E_RNA) where: Base-Base interactions energy: -27.305 where: short stacking energy: -14.302 Base-Backbone interact. energy: -0.080 local terms energy: -26.578727 where: bonds (distance) C4'-P energy: -5.767 bonds (distance) P-C4' energy: -5.913 flat angles C4'-P-C4' energy: -6.717 flat angles P-C4'-P energy: -7.203 tors. eta vs tors. theta energy: -0.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -51.499200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.499200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.499200 (E_RNA) where: Base-Base interactions energy: -22.326 where: short stacking energy: -13.264 Base-Backbone interact. energy: -0.074 local terms energy: -29.099160 where: bonds (distance) C4'-P energy: -6.355 bonds (distance) P-C4' energy: -9.345 flat angles C4'-P-C4' energy: -7.559 flat angles P-C4'-P energy: -4.337 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: 7, replica: 7 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -46.836962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.836962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.836962 (E_RNA) where: Base-Base interactions energy: -15.788 where: short stacking energy: -15.788 Base-Backbone interact. energy: -0.002 local terms energy: -31.046545 where: bonds (distance) C4'-P energy: -7.488 bonds (distance) P-C4' energy: -7.398 flat angles C4'-P-C4' energy: -5.499 flat angles P-C4'-P energy: -6.077 tors. eta vs tors. theta energy: -4.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -50.855989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.855989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.855989 (E_RNA) where: Base-Base interactions energy: -26.090 where: short stacking energy: -18.595 Base-Backbone interact. energy: -0.268 local terms energy: -24.498278 where: bonds (distance) C4'-P energy: -6.620 bonds (distance) P-C4' energy: -7.925 flat angles C4'-P-C4' energy: -7.444 flat angles P-C4'-P energy: -1.943 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: 9, replica: 9 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -39.912554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.912554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.912554 (E_RNA) where: Base-Base interactions energy: -13.679 where: short stacking energy: -13.679 Base-Backbone interact. energy: -0.003 local terms energy: -26.230766 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -5.733 flat angles C4'-P-C4' energy: -5.444 flat angles P-C4'-P energy: -4.844 tors. eta vs tors. theta energy: -2.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -39.260210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -39.260210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -39.260210 (E_RNA) where: Base-Base interactions energy: -12.584 where: short stacking energy: -12.584 Base-Backbone interact. energy: -0.098 local terms energy: -26.577384 where: bonds (distance) C4'-P energy: -7.978 bonds (distance) P-C4' energy: -6.713 flat angles C4'-P-C4' energy: -8.152 flat angles P-C4'-P energy: -2.498 tors. eta vs tors. theta energy: -1.237 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: 4 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -73.752271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.752271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.752271 (E_RNA) where: Base-Base interactions energy: -40.897 where: short stacking energy: -29.214 Base-Backbone interact. energy: -0.000 local terms energy: -32.855160 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.834 flat angles C4'-P-C4' energy: -6.887 flat angles P-C4'-P energy: -4.275 tors. eta vs tors. theta energy: -6.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -83.782860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.782860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.782860 (E_RNA) where: Base-Base interactions energy: -52.918 where: short stacking energy: -31.599 Base-Backbone interact. energy: -0.003 local terms energy: -30.862241 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -7.876 flat angles C4'-P-C4' energy: -6.379 flat angles P-C4'-P energy: -3.503 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: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -71.405072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.405072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.405072 (E_RNA) where: Base-Base interactions energy: -37.500 where: short stacking energy: -27.017 Base-Backbone interact. energy: -1.821 local terms energy: -32.084702 where: bonds (distance) C4'-P energy: -6.906 bonds (distance) P-C4' energy: -8.017 flat angles C4'-P-C4' energy: -6.676 flat angles P-C4'-P energy: -2.720 tors. eta vs tors. theta energy: -7.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -57.248380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.248380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.248380 (E_RNA) where: Base-Base interactions energy: -23.222 where: short stacking energy: -23.222 Base-Backbone interact. energy: -0.053 local terms energy: -33.973705 where: bonds (distance) C4'-P energy: -5.874 bonds (distance) P-C4' energy: -9.556 flat angles C4'-P-C4' energy: -8.430 flat angles P-C4'-P energy: -4.614 tors. eta vs tors. theta energy: -5.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -50.210643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.210643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.210643 (E_RNA) where: Base-Base interactions energy: -22.305 where: short stacking energy: -22.305 Base-Backbone interact. energy: -0.001 local terms energy: -27.904493 where: bonds (distance) C4'-P energy: -5.803 bonds (distance) P-C4' energy: -6.382 flat angles C4'-P-C4' energy: -6.413 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -4.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -55.025848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.025848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.025848 (E_RNA) where: Base-Base interactions energy: -27.837 where: short stacking energy: -20.756 Base-Backbone interact. energy: 0.709 local terms energy: -27.898176 where: bonds (distance) C4'-P energy: -6.678 bonds (distance) P-C4' energy: -7.812 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -6.370 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: 7, replica: 1 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -52.450952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.450952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.450952 (E_RNA) where: Base-Base interactions energy: -17.871 where: short stacking energy: -17.871 Base-Backbone interact. energy: 0.076 local terms energy: -34.656131 where: bonds (distance) C4'-P energy: -6.007 bonds (distance) P-C4' energy: -9.578 flat angles C4'-P-C4' energy: -7.621 flat angles P-C4'-P energy: -6.135 tors. eta vs tors. theta energy: -5.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -49.858242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.858242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.858242 (E_RNA) where: Base-Base interactions energy: -19.544 where: short stacking energy: -19.544 Base-Backbone interact. energy: -0.000 local terms energy: -30.314568 where: bonds (distance) C4'-P energy: -8.619 bonds (distance) P-C4' energy: -7.879 flat angles C4'-P-C4' energy: -3.024 flat angles P-C4'-P energy: -3.134 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: 9, replica: 2 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -45.486327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.486327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.486327 (E_RNA) where: Base-Base interactions energy: -20.704 where: short stacking energy: -19.237 Base-Backbone interact. energy: -0.002 local terms energy: -24.780626 where: bonds (distance) C4'-P energy: -4.106 bonds (distance) P-C4' energy: -7.371 flat angles C4'-P-C4' energy: -4.869 flat angles P-C4'-P energy: -4.811 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: 10, replica: 9 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -37.504094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -37.504094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -37.504094 (E_RNA) where: Base-Base interactions energy: -15.948 where: short stacking energy: -15.948 Base-Backbone interact. energy: -0.000 local terms energy: -21.555424 where: bonds (distance) C4'-P energy: -2.985 bonds (distance) P-C4' energy: -5.325 flat angles C4'-P-C4' energy: -4.834 flat angles P-C4'-P energy: -3.048 tors. eta vs tors. theta energy: -5.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -65.432765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.432765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.432765 (E_RNA) where: Base-Base interactions energy: -30.841 where: short stacking energy: -30.841 Base-Backbone interact. energy: -0.000 local terms energy: -34.591685 where: bonds (distance) C4'-P energy: -8.076 bonds (distance) P-C4' energy: -7.728 flat angles C4'-P-C4' energy: -5.398 flat angles P-C4'-P energy: -4.990 tors. eta vs tors. theta energy: -8.400 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: 491 Temperature: 0.950000 Total energy: -77.319480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.319480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.319480 (E_RNA) where: Base-Base interactions energy: -37.505 where: short stacking energy: -25.834 Base-Backbone interact. energy: 0.691 local terms energy: -40.504796 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -9.106 flat angles C4'-P-C4' energy: -8.164 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -8.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -59.575884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.575884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.575884 (E_RNA) where: Base-Base interactions energy: -32.260 where: short stacking energy: -23.711 Base-Backbone interact. energy: -0.272 local terms energy: -27.043557 where: bonds (distance) C4'-P energy: -6.761 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -6.515 flat angles P-C4'-P energy: -2.315 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: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -63.690166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.690166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.690166 (E_RNA) where: Base-Base interactions energy: -32.710 where: short stacking energy: -18.601 Base-Backbone interact. energy: -0.737 local terms energy: -30.243126 where: bonds (distance) C4'-P energy: -8.040 bonds (distance) P-C4' energy: -8.879 flat angles C4'-P-C4' energy: -7.270 flat angles P-C4'-P energy: -5.012 tors. eta vs tors. theta energy: -1.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -46.484486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.484486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.484486 (E_RNA) where: Base-Base interactions energy: -15.464 where: short stacking energy: -11.935 Base-Backbone interact. energy: -0.169 local terms energy: -30.850889 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -9.112 flat angles C4'-P-C4' energy: -7.148 flat angles P-C4'-P energy: -3.246 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: 6, replica: 1 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -47.495891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.495891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.495891 (E_RNA) where: Base-Base interactions energy: -19.510 where: short stacking energy: -17.331 Base-Backbone interact. energy: -0.027 local terms energy: -27.959336 where: bonds (distance) C4'-P energy: -5.353 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -7.042 flat angles P-C4'-P energy: -6.163 tors. eta vs tors. theta energy: -0.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -50.699592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.699592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.699592 (E_RNA) where: Base-Base interactions energy: -21.615 where: short stacking energy: -21.615 Base-Backbone interact. energy: -0.020 local terms energy: -29.064783 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -6.830 flat angles C4'-P-C4' energy: -7.584 flat angles P-C4'-P energy: -3.000 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: 8, replica: 7 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -49.450981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.450981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.450981 (E_RNA) where: Base-Base interactions energy: -23.797 where: short stacking energy: -16.863 Base-Backbone interact. energy: -0.000 local terms energy: -25.653481 where: bonds (distance) C4'-P energy: -6.967 bonds (distance) P-C4' energy: -6.861 flat angles C4'-P-C4' energy: -3.482 flat angles P-C4'-P energy: -3.309 tors. eta vs tors. theta energy: -5.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -45.622983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.622983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.622983 (E_RNA) where: Base-Base interactions energy: -18.905 where: short stacking energy: -18.905 Base-Backbone interact. energy: -0.001 local terms energy: -26.717091 where: bonds (distance) C4'-P energy: -3.797 bonds (distance) P-C4' energy: -8.094 flat angles C4'-P-C4' energy: -4.604 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -4.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -40.873578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.873578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.873578 (E_RNA) where: Base-Base interactions energy: -12.697 where: short stacking energy: -12.697 Base-Backbone interact. energy: -0.131 local terms energy: -28.045349 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -4.198 flat angles C4'-P-C4' energy: -6.139 flat angles P-C4'-P energy: -5.661 tors. eta vs tors. theta energy: -3.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -66.578813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.578813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.578813 (E_RNA) where: Base-Base interactions energy: -29.405 where: short stacking energy: -25.730 Base-Backbone interact. energy: -0.033 local terms energy: -37.140904 where: bonds (distance) C4'-P energy: -6.665 bonds (distance) P-C4' energy: -8.444 flat angles C4'-P-C4' energy: -8.705 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -7.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -62.274205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.274205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.274205 (E_RNA) where: Base-Base interactions energy: -27.673 where: short stacking energy: -27.673 Base-Backbone interact. energy: -0.001 local terms energy: -34.600363 where: bonds (distance) C4'-P energy: -8.192 bonds (distance) P-C4' energy: -7.499 flat angles C4'-P-C4' energy: -7.408 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -6.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -54.931206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.931206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.931206 (E_RNA) where: Base-Base interactions energy: -19.963 where: short stacking energy: -19.963 Base-Backbone interact. energy: -0.006 local terms energy: -34.962905 where: bonds (distance) C4'-P energy: -5.750 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -8.835 flat angles P-C4'-P energy: -6.632 tors. eta vs tors. theta energy: -4.872 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: 3 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -64.134541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.134541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.134541 (E_RNA) where: Base-Base interactions energy: -32.643 where: short stacking energy: -32.643 Base-Backbone interact. energy: -0.000 local terms energy: -31.491424 where: bonds (distance) C4'-P energy: -6.603 bonds (distance) P-C4' energy: -2.604 flat angles C4'-P-C4' energy: -5.730 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -9.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -50.419474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.419474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.419474 (E_RNA) where: Base-Base interactions energy: -17.689 where: short stacking energy: -15.377 Base-Backbone interact. energy: -0.222 local terms energy: -32.508692 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -8.115 flat angles C4'-P-C4' energy: -6.468 flat angles P-C4'-P energy: -6.659 tors. eta vs tors. theta energy: -3.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -60.200672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.200672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.200672 (E_RNA) where: Base-Base interactions energy: -25.574 where: short stacking energy: -25.574 Base-Backbone interact. energy: -0.001 local terms energy: -34.626506 where: bonds (distance) C4'-P energy: -5.464 bonds (distance) P-C4' energy: -8.894 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -5.210 tors. eta vs tors. theta energy: -7.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -49.819293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.819293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.819293 (E_RNA) where: Base-Base interactions energy: -17.237 where: short stacking energy: -17.237 Base-Backbone interact. energy: -0.089 local terms energy: -32.492895 where: bonds (distance) C4'-P energy: -8.511 bonds (distance) P-C4' energy: -8.665 flat angles C4'-P-C4' energy: -7.128 flat angles P-C4'-P energy: -5.740 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: 8, replica: 10 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -50.290808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.290808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.290808 (E_RNA) where: Base-Base interactions energy: -21.163 where: short stacking energy: -21.163 Base-Backbone interact. energy: -0.087 local terms energy: -29.039940 where: bonds (distance) C4'-P energy: -7.286 bonds (distance) P-C4' energy: -4.358 flat angles C4'-P-C4' energy: -6.819 flat angles P-C4'-P energy: -5.283 tors. eta vs tors. theta energy: -5.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -44.624421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.624421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.624421 (E_RNA) where: Base-Base interactions energy: -17.606 where: short stacking energy: -12.719 Base-Backbone interact. energy: -0.099 local terms energy: -26.919538 where: bonds (distance) C4'-P energy: -7.455 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -7.423 flat angles P-C4'-P energy: -2.675 tors. eta vs tors. theta energy: -1.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -42.171451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.171451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.171451 (E_RNA) where: Base-Base interactions energy: -11.727 where: short stacking energy: -11.727 Base-Backbone interact. energy: -0.041 local terms energy: -30.402767 where: bonds (distance) C4'-P energy: -7.816 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.179 flat angles P-C4'-P energy: -3.439 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: 5 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -69.959342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.959342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.959342 (E_RNA) where: Base-Base interactions energy: -36.616 where: short stacking energy: -23.008 Base-Backbone interact. energy: -0.006 local terms energy: -33.337361 where: bonds (distance) C4'-P energy: -6.354 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -7.738 flat angles P-C4'-P energy: -3.418 tors. eta vs tors. theta energy: -7.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -60.747496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -60.747496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -60.747496 (E_RNA) where: Base-Base interactions energy: -26.529 where: short stacking energy: -26.529 Base-Backbone interact. energy: -0.005 local terms energy: -34.213102 where: bonds (distance) C4'-P energy: -7.232 bonds (distance) P-C4' energy: -8.208 flat angles C4'-P-C4' energy: -8.673 flat angles P-C4'-P energy: -5.446 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: 3, replica: 6 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -52.382532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.382532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.382532 (E_RNA) where: Base-Base interactions energy: -20.701 where: short stacking energy: -20.701 Base-Backbone interact. energy: -0.004 local terms energy: -31.678156 where: bonds (distance) C4'-P energy: -8.325 bonds (distance) P-C4' energy: -7.637 flat angles C4'-P-C4' energy: -9.280 flat angles P-C4'-P energy: -3.929 tors. eta vs tors. theta energy: -2.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -54.145225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.145225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.145225 (E_RNA) where: Base-Base interactions energy: -32.200 where: short stacking energy: -21.849 Base-Backbone interact. energy: -0.005 local terms energy: -21.939563 where: bonds (distance) C4'-P energy: -5.055 bonds (distance) P-C4' energy: -7.100 flat angles C4'-P-C4' energy: -2.820 flat angles P-C4'-P energy: -4.682 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: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -56.947940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.947940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.947940 (E_RNA) where: Base-Base interactions energy: -19.969 where: short stacking energy: -19.969 Base-Backbone interact. energy: -0.000 local terms energy: -36.978812 where: bonds (distance) C4'-P energy: -8.139 bonds (distance) P-C4' energy: -9.575 flat angles C4'-P-C4' energy: -7.463 flat angles P-C4'-P energy: -6.251 tors. eta vs tors. theta energy: -5.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -49.108484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -49.108484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -49.108484 (E_RNA) where: Base-Base interactions energy: -20.115 where: short stacking energy: -20.115 Base-Backbone interact. energy: -0.072 local terms energy: -28.921816 where: bonds (distance) C4'-P energy: -7.377 bonds (distance) P-C4' energy: -8.045 flat angles C4'-P-C4' energy: -5.792 flat angles P-C4'-P energy: -4.964 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: 7, replica: 8 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -48.600826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.600826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.600826 (E_RNA) where: Base-Base interactions energy: -19.670 where: short stacking energy: -19.670 Base-Backbone interact. energy: -0.000 local terms energy: -28.931216 where: bonds (distance) C4'-P energy: -7.091 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -0.228 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: 8, replica: 10 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -46.865490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.865490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.865490 (E_RNA) where: Base-Base interactions energy: -18.696 where: short stacking energy: -13.859 Base-Backbone interact. energy: -0.044 local terms energy: -28.125185 where: bonds (distance) C4'-P energy: -6.673 bonds (distance) P-C4' energy: -8.035 flat angles C4'-P-C4' energy: -4.782 flat angles P-C4'-P energy: -2.836 tors. eta vs tors. theta energy: -5.800 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: 9 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -41.179359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.179359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.179359 (E_RNA) where: Base-Base interactions energy: -14.422 where: short stacking energy: -14.422 Base-Backbone interact. energy: -0.001 local terms energy: -26.756831 where: bonds (distance) C4'-P energy: -5.718 bonds (distance) P-C4' energy: -8.823 flat angles C4'-P-C4' energy: -4.789 flat angles P-C4'-P energy: -5.788 tors. eta vs tors. theta energy: -1.639 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: 10, replica: 2 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -46.157284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.157284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.157284 (E_RNA) where: Base-Base interactions energy: -18.453 where: short stacking energy: -18.453 Base-Backbone interact. energy: -0.006 local terms energy: -27.699154 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -8.249 flat angles C4'-P-C4' energy: -3.500 flat angles P-C4'-P energy: -3.207 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: 1, replica: 5 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -55.606902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.606902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.606902 (E_RNA) where: Base-Base interactions energy: -22.144 where: short stacking energy: -22.144 Base-Backbone interact. energy: -0.001 local terms energy: -33.462041 where: bonds (distance) C4'-P energy: -7.622 bonds (distance) P-C4' energy: -7.051 flat angles C4'-P-C4' energy: -8.091 flat angles P-C4'-P energy: -4.794 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: 2, replica: 4 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -56.612116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.612116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.612116 (E_RNA) where: Base-Base interactions energy: -23.962 where: short stacking energy: -23.962 Base-Backbone interact. energy: -0.013 local terms energy: -32.637076 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.361 flat angles C4'-P-C4' energy: -3.925 flat angles P-C4'-P energy: -5.003 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -61.693192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.693192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.693192 (E_RNA) where: Base-Base interactions energy: -28.537 where: short stacking energy: -28.537 Base-Backbone interact. energy: -0.000 local terms energy: -33.155666 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -7.554 flat angles C4'-P-C4' energy: -6.080 flat angles P-C4'-P energy: -5.471 tors. eta vs tors. theta energy: -7.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -58.284452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.284452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.284452 (E_RNA) where: Base-Base interactions energy: -31.568 where: short stacking energy: -21.101 Base-Backbone interact. energy: -0.065 local terms energy: -26.651001 where: bonds (distance) C4'-P energy: -4.470 bonds (distance) P-C4' energy: -7.563 flat angles C4'-P-C4' energy: -6.802 flat angles P-C4'-P energy: -4.521 tors. eta vs tors. theta energy: -3.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -56.282278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.282278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.282278 (E_RNA) where: Base-Base interactions energy: -24.983 where: short stacking energy: -24.276 Base-Backbone interact. energy: -0.003 local terms energy: -31.296787 where: bonds (distance) C4'-P energy: -6.408 bonds (distance) P-C4' energy: -9.131 flat angles C4'-P-C4' energy: -4.825 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -56.870087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.870087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.870087 (E_RNA) where: Base-Base interactions energy: -25.729 where: short stacking energy: -17.942 Base-Backbone interact. energy: -0.038 local terms energy: -31.103732 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.524 flat angles C4'-P-C4' energy: -7.017 flat angles P-C4'-P energy: -6.243 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: 7, replica: 10 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -45.424309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.424309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.424309 (E_RNA) where: Base-Base interactions energy: -14.694 where: short stacking energy: -13.116 Base-Backbone interact. energy: -0.000 local terms energy: -30.730589 where: bonds (distance) C4'-P energy: -7.989 bonds (distance) P-C4' energy: -7.333 flat angles C4'-P-C4' energy: -7.568 flat angles P-C4'-P energy: -6.218 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: 8, replica: 8 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -40.362867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.362867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.362867 (E_RNA) where: Base-Base interactions energy: -15.973 where: short stacking energy: -15.973 Base-Backbone interact. energy: -0.012 local terms energy: -24.377944 where: bonds (distance) C4'-P energy: -4.711 bonds (distance) P-C4' energy: -6.882 flat angles C4'-P-C4' energy: -6.459 flat angles P-C4'-P energy: -2.198 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: 9, replica: 2 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -45.571339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.571339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.571339 (E_RNA) where: Base-Base interactions energy: -21.606 where: short stacking energy: -12.401 Base-Backbone interact. energy: -0.236 local terms energy: -23.729690 where: bonds (distance) C4'-P energy: -7.663 bonds (distance) P-C4' energy: -9.818 flat angles C4'-P-C4' energy: -2.645 flat angles P-C4'-P energy: -3.368 tors. eta vs tors. theta energy: -0.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -41.333986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.333986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.333986 (E_RNA) where: Base-Base interactions energy: -17.684 where: short stacking energy: -17.684 Base-Backbone interact. energy: -0.104 local terms energy: -23.545812 where: bonds (distance) C4'-P energy: -8.226 bonds (distance) P-C4' energy: -6.780 flat angles C4'-P-C4' energy: -2.758 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -1.399 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: 5 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -59.207975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.207975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.207975 (E_RNA) where: Base-Base interactions energy: -26.070 where: short stacking energy: -26.070 Base-Backbone interact. energy: -0.000 local terms energy: -33.138187 where: bonds (distance) C4'-P energy: -9.260 bonds (distance) P-C4' energy: -6.836 flat angles C4'-P-C4' energy: -7.612 flat angles P-C4'-P energy: -5.420 tors. eta vs tors. theta energy: -4.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -56.488703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.488703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.488703 (E_RNA) where: Base-Base interactions energy: -23.429 where: short stacking energy: -23.429 Base-Backbone interact. energy: -0.003 local terms energy: -33.056143 where: bonds (distance) C4'-P energy: -7.882 bonds (distance) P-C4' energy: -9.317 flat angles C4'-P-C4' energy: -9.078 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: -3.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -63.100074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.100074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.100074 (E_RNA) where: Base-Base interactions energy: -27.056 where: short stacking energy: -27.056 Base-Backbone interact. energy: -0.002 local terms energy: -36.042171 where: bonds (distance) C4'-P energy: -8.218 bonds (distance) P-C4' energy: -8.143 flat angles C4'-P-C4' energy: -7.954 flat angles P-C4'-P energy: -4.037 tors. eta vs tors. theta energy: -7.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -55.172692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.172692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.172692 (E_RNA) where: Base-Base interactions energy: -23.293 where: short stacking energy: -19.557 Base-Backbone interact. energy: -0.006 local terms energy: -31.874093 where: bonds (distance) C4'-P energy: -5.812 bonds (distance) P-C4' energy: -6.424 flat angles C4'-P-C4' energy: -7.118 flat angles P-C4'-P energy: -5.879 tors. eta vs tors. theta energy: -6.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -51.797282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -51.797282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -51.797282 (E_RNA) where: Base-Base interactions energy: -20.939 where: short stacking energy: -20.712 Base-Backbone interact. energy: -0.053 local terms energy: -30.805263 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -5.643 flat angles P-C4'-P energy: -5.491 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: 6, replica: 10 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -53.310976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.310976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.310976 (E_RNA) where: Base-Base interactions energy: -24.656 where: short stacking energy: -18.729 Base-Backbone interact. energy: 0.694 local terms energy: -29.349487 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -7.298 flat angles C4'-P-C4' energy: -8.610 flat angles P-C4'-P energy: 0.943 tors. eta vs tors. theta energy: -6.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -55.855319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.855319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.855319 (E_RNA) where: Base-Base interactions energy: -19.199 where: short stacking energy: -19.199 Base-Backbone interact. energy: -0.100 local terms energy: -36.556877 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -7.760 flat angles C4'-P-C4' energy: -8.440 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -6.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -56.750460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.750460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.750460 (E_RNA) where: Base-Base interactions energy: -23.655 where: short stacking energy: -23.655 Base-Backbone interact. energy: -0.002 local terms energy: -33.093619 where: bonds (distance) C4'-P energy: -7.898 bonds (distance) P-C4' energy: -7.778 flat angles C4'-P-C4' energy: -8.529 flat angles P-C4'-P energy: -5.728 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -44.428836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.428836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.428836 (E_RNA) where: Base-Base interactions energy: -15.899 where: short stacking energy: -15.899 Base-Backbone interact. energy: -0.000 local terms energy: -28.529743 where: bonds (distance) C4'-P energy: -3.941 bonds (distance) P-C4' energy: -7.284 flat angles C4'-P-C4' energy: -7.585 flat angles P-C4'-P energy: -3.384 tors. eta vs tors. theta energy: -6.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -47.834364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.834364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.834364 (E_RNA) where: Base-Base interactions energy: -20.212 where: short stacking energy: -20.212 Base-Backbone interact. energy: -0.092 local terms energy: -27.530557 where: bonds (distance) C4'-P energy: -8.503 bonds (distance) P-C4' energy: -6.054 flat angles C4'-P-C4' energy: -7.345 flat angles P-C4'-P energy: -2.122 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: 1 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -76.070063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.070063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.070063 (E_RNA) where: Base-Base interactions energy: -46.218 where: short stacking energy: -26.926 Base-Backbone interact. energy: -0.008 local terms energy: -29.843457 where: bonds (distance) C4'-P energy: -6.566 bonds (distance) P-C4' energy: -7.094 flat angles C4'-P-C4' energy: -8.794 flat angles P-C4'-P energy: -3.779 tors. eta vs tors. theta energy: -3.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -63.300496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.300496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.300496 (E_RNA) where: Base-Base interactions energy: -25.860 where: short stacking energy: -19.930 Base-Backbone interact. energy: -0.000 local terms energy: -37.440548 where: bonds (distance) C4'-P energy: -7.452 bonds (distance) P-C4' energy: -9.348 flat angles C4'-P-C4' energy: -7.385 flat angles P-C4'-P energy: -6.110 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: 6 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -73.109864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.109864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.109864 (E_RNA) where: Base-Base interactions energy: -39.553 where: short stacking energy: -21.037 Base-Backbone interact. energy: 0.678 local terms energy: -34.234739 where: bonds (distance) C4'-P energy: -8.627 bonds (distance) P-C4' energy: -8.876 flat angles C4'-P-C4' energy: -7.803 flat angles P-C4'-P energy: -4.183 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: 4, replica: 4 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -53.847557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.847557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.847557 (E_RNA) where: Base-Base interactions energy: -21.997 where: short stacking energy: -21.997 Base-Backbone interact. energy: -0.032 local terms energy: -31.817928 where: bonds (distance) C4'-P energy: -6.361 bonds (distance) P-C4' energy: -6.946 flat angles C4'-P-C4' energy: -6.796 flat angles P-C4'-P energy: -5.378 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: 5, replica: 7 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -56.692644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.692644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.692644 (E_RNA) where: Base-Base interactions energy: -21.107 where: short stacking energy: -20.161 Base-Backbone interact. energy: -0.254 local terms energy: -35.331487 where: bonds (distance) C4'-P energy: -8.147 bonds (distance) P-C4' energy: -7.981 flat angles C4'-P-C4' energy: -7.169 flat angles P-C4'-P energy: -6.384 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -53.165154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.165154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.165154 (E_RNA) where: Base-Base interactions energy: -24.170 where: short stacking energy: -15.679 Base-Backbone interact. energy: -0.074 local terms energy: -28.920669 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -9.091 flat angles C4'-P-C4' energy: -6.960 flat angles P-C4'-P energy: -5.642 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: 7, replica: 8 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -56.452295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.452295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.452295 (E_RNA) where: Base-Base interactions energy: -24.675 where: short stacking energy: -24.675 Base-Backbone interact. energy: -0.542 local terms energy: -31.235338 where: bonds (distance) C4'-P energy: -7.294 bonds (distance) P-C4' energy: -7.140 flat angles C4'-P-C4' energy: -6.307 flat angles P-C4'-P energy: -4.796 tors. eta vs tors. theta energy: -5.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -38.982392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -38.982392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -38.982392 (E_RNA) where: Base-Base interactions energy: -12.315 where: short stacking energy: -12.315 Base-Backbone interact. energy: -0.010 local terms energy: -26.657379 where: bonds (distance) C4'-P energy: -6.697 bonds (distance) P-C4' energy: -7.066 flat angles C4'-P-C4' energy: -7.373 flat angles P-C4'-P energy: -2.780 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: 9 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -43.761649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.761649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.761649 (E_RNA) where: Base-Base interactions energy: -24.486 where: short stacking energy: -14.540 Base-Backbone interact. energy: -0.021 local terms energy: -19.254014 where: bonds (distance) C4'-P energy: -3.377 bonds (distance) P-C4' energy: -1.576 flat angles C4'-P-C4' energy: -6.066 flat angles P-C4'-P energy: -5.034 tors. eta vs tors. theta energy: -3.201 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: 496 Temperature: 1.350000 Total energy: -46.892347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.892347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.892347 (E_RNA) where: Base-Base interactions energy: -16.934 where: short stacking energy: -16.934 Base-Backbone interact. energy: -0.000 local terms energy: -29.958287 where: bonds (distance) C4'-P energy: -3.291 bonds (distance) P-C4' energy: -5.728 flat angles C4'-P-C4' energy: -7.679 flat angles P-C4'-P energy: -4.959 tors. eta vs tors. theta energy: -8.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -79.190760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.190760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.190760 (E_RNA) where: Base-Base interactions energy: -43.138 where: short stacking energy: -25.596 Base-Backbone interact. energy: -0.005 local terms energy: -36.048650 where: bonds (distance) C4'-P energy: -7.418 bonds (distance) P-C4' energy: -8.830 flat angles C4'-P-C4' energy: -6.698 flat angles P-C4'-P energy: -6.453 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: 2, replica: 6 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -62.064233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.064233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.064233 (E_RNA) where: Base-Base interactions energy: -28.805 where: short stacking energy: -25.397 Base-Backbone interact. energy: -0.005 local terms energy: -33.254999 where: bonds (distance) C4'-P energy: -7.658 bonds (distance) P-C4' energy: -8.336 flat angles C4'-P-C4' energy: -6.271 flat angles P-C4'-P energy: -4.613 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: 5 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -58.917971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.917971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.917971 (E_RNA) where: Base-Base interactions energy: -30.291 where: short stacking energy: -21.321 Base-Backbone interact. energy: -0.244 local terms energy: -28.382908 where: bonds (distance) C4'-P energy: -6.006 bonds (distance) P-C4' energy: -6.399 flat angles C4'-P-C4' energy: -8.354 flat angles P-C4'-P energy: -4.538 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: 4, replica: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -54.265259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.265259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.265259 (E_RNA) where: Base-Base interactions energy: -19.106 where: short stacking energy: -19.106 Base-Backbone interact. energy: -0.001 local terms energy: -35.158137 where: bonds (distance) C4'-P energy: -8.797 bonds (distance) P-C4' energy: -9.087 flat angles C4'-P-C4' energy: -5.845 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -7.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -50.687898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.687898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.687898 (E_RNA) where: Base-Base interactions energy: -21.062 where: short stacking energy: -21.062 Base-Backbone interact. energy: -0.008 local terms energy: -29.617593 where: bonds (distance) C4'-P energy: -6.781 bonds (distance) P-C4' energy: -5.787 flat angles C4'-P-C4' energy: -7.089 flat angles P-C4'-P energy: -4.910 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: 6, replica: 8 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -50.014139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -50.014139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -50.014139 (E_RNA) where: Base-Base interactions energy: -16.270 where: short stacking energy: -16.270 Base-Backbone interact. energy: -0.153 local terms energy: -33.591074 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -7.538 flat angles C4'-P-C4' energy: -7.035 flat angles P-C4'-P energy: -5.791 tors. eta vs tors. theta energy: -5.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -52.199529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.199529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.199529 (E_RNA) where: Base-Base interactions energy: -22.954 where: short stacking energy: -17.355 Base-Backbone interact. energy: 0.513 local terms energy: -29.758794 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -8.319 flat angles C4'-P-C4' energy: -6.152 flat angles P-C4'-P energy: -1.877 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: 8, replica: 9 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -47.683782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -47.683782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -47.683782 (E_RNA) where: Base-Base interactions energy: -18.789 where: short stacking energy: -18.789 Base-Backbone interact. energy: -0.091 local terms energy: -28.803035 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.193 flat angles C4'-P-C4' energy: -6.115 flat angles P-C4'-P energy: -4.519 tors. eta vs tors. theta energy: -2.024 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: 3 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -41.941438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.941438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.941438 (E_RNA) where: Base-Base interactions energy: -18.505 where: short stacking energy: -18.505 Base-Backbone interact. energy: -0.099 local terms energy: -23.337779 where: bonds (distance) C4'-P energy: -4.952 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -4.569 flat angles P-C4'-P energy: -5.093 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: 10, replica: 2 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -41.781717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.781717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.781717 (E_RNA) where: Base-Base interactions energy: -15.909 where: short stacking energy: -15.909 Base-Backbone interact. energy: -0.062 local terms energy: -25.810974 where: bonds (distance) C4'-P energy: -4.861 bonds (distance) P-C4' energy: -6.147 flat angles C4'-P-C4' energy: -7.626 flat angles P-C4'-P energy: -2.837 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: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -61.681069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.681069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.681069 (E_RNA) where: Base-Base interactions energy: -27.038 where: short stacking energy: -23.251 Base-Backbone interact. energy: -0.000 local terms energy: -34.642754 where: bonds (distance) C4'-P energy: -7.028 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -4.919 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: 2, replica: 1 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -74.265128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.265128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.265128 (E_RNA) where: Base-Base interactions energy: -35.320 where: short stacking energy: -28.538 Base-Backbone interact. energy: -0.014 local terms energy: -38.930825 where: bonds (distance) C4'-P energy: -7.480 bonds (distance) P-C4' energy: -7.230 flat angles C4'-P-C4' energy: -9.408 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -8.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -65.681010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.681010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.681010 (E_RNA) where: Base-Base interactions energy: -34.050 where: short stacking energy: -16.913 Base-Backbone interact. energy: 0.278 local terms energy: -31.908252 where: bonds (distance) C4'-P energy: -6.984 bonds (distance) P-C4' energy: -7.714 flat angles C4'-P-C4' energy: -8.742 flat angles P-C4'-P energy: -5.983 tors. eta vs tors. theta energy: -2.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -66.118055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.118055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.118055 (E_RNA) where: Base-Base interactions energy: -27.469 where: short stacking energy: -27.469 Base-Backbone interact. energy: -0.000 local terms energy: -38.649327 where: bonds (distance) C4'-P energy: -7.588 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -7.391 flat angles P-C4'-P energy: -5.634 tors. eta vs tors. theta energy: -8.928 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: 8 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -48.988186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.988186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.988186 (E_RNA) where: Base-Base interactions energy: -18.352 where: short stacking energy: -18.352 Base-Backbone interact. energy: -0.000 local terms energy: -30.635931 where: bonds (distance) C4'-P energy: -6.425 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -6.608 flat angles P-C4'-P energy: -3.684 tors. eta vs tors. theta energy: -5.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -53.715502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.715502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.715502 (E_RNA) where: Base-Base interactions energy: -20.137 where: short stacking energy: -20.137 Base-Backbone interact. energy: -0.003 local terms energy: -33.575742 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -6.256 flat angles C4'-P-C4' energy: -8.426 flat angles P-C4'-P energy: -4.407 tors. eta vs tors. theta energy: -7.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -45.013178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.013178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.013178 (E_RNA) where: Base-Base interactions energy: -16.309 where: short stacking energy: -16.309 Base-Backbone interact. energy: -0.035 local terms energy: -28.669667 where: bonds (distance) C4'-P energy: -6.921 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -6.645 flat angles P-C4'-P energy: -4.096 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: 8, replica: 10 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -48.996758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.996758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.996758 (E_RNA) where: Base-Base interactions energy: -21.257 where: short stacking energy: -15.956 Base-Backbone interact. energy: -0.264 local terms energy: -27.475549 where: bonds (distance) C4'-P energy: -4.289 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -9.385 flat angles P-C4'-P energy: -2.535 tors. eta vs tors. theta energy: -2.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -57.351705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.351705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.351705 (E_RNA) where: Base-Base interactions energy: -28.856 where: short stacking energy: -4.787 Base-Backbone interact. energy: -0.095 local terms energy: -28.400798 where: bonds (distance) C4'-P energy: -6.289 bonds (distance) P-C4' energy: -8.020 flat angles C4'-P-C4' energy: -9.443 flat angles P-C4'-P energy: -5.061 tors. eta vs tors. theta energy: 0.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -40.105919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.105919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.105919 (E_RNA) where: Base-Base interactions energy: -14.643 where: short stacking energy: -14.643 Base-Backbone interact. energy: -0.136 local terms energy: -25.327040 where: bonds (distance) C4'-P energy: -6.176 bonds (distance) P-C4' energy: -6.395 flat angles C4'-P-C4' energy: -7.426 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -72.161771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.161771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.161771 (E_RNA) where: Base-Base interactions energy: -37.030 where: short stacking energy: -35.556 Base-Backbone interact. energy: -0.000 local terms energy: -35.131573 where: bonds (distance) C4'-P energy: -7.464 bonds (distance) P-C4' energy: -6.637 flat angles C4'-P-C4' energy: -7.425 flat angles P-C4'-P energy: -5.413 tors. eta vs tors. theta energy: -8.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -56.104157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.104157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.104157 (E_RNA) where: Base-Base interactions energy: -25.439 where: short stacking energy: -21.002 Base-Backbone interact. energy: -0.006 local terms energy: -30.659653 where: bonds (distance) C4'-P energy: -7.017 bonds (distance) P-C4' energy: -6.904 flat angles C4'-P-C4' energy: -8.179 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -1.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -56.273187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.273187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.273187 (E_RNA) where: Base-Base interactions energy: -20.207 where: short stacking energy: -20.207 Base-Backbone interact. energy: -0.001 local terms energy: -36.065441 where: bonds (distance) C4'-P energy: -6.450 bonds (distance) P-C4' energy: -8.866 flat angles C4'-P-C4' energy: -9.119 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -6.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -57.190594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -57.190594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -57.190594 (E_RNA) where: Base-Base interactions energy: -26.321 where: short stacking energy: -25.357 Base-Backbone interact. energy: -0.000 local terms energy: -30.869466 where: bonds (distance) C4'-P energy: -6.164 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -8.393 flat angles P-C4'-P energy: -3.445 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: 5, replica: 8 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -54.289304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.289304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.289304 (E_RNA) where: Base-Base interactions energy: -22.991 where: short stacking energy: -15.672 Base-Backbone interact. energy: -0.339 local terms energy: -30.959240 where: bonds (distance) C4'-P energy: -8.706 bonds (distance) P-C4' energy: -8.640 flat angles C4'-P-C4' energy: -6.820 flat angles P-C4'-P energy: -3.982 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: 9 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -45.169597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -45.169597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -45.169597 (E_RNA) where: Base-Base interactions energy: -14.440 where: short stacking energy: -14.440 Base-Backbone interact. energy: 0.599 local terms energy: -31.327942 where: bonds (distance) C4'-P energy: -7.550 bonds (distance) P-C4' energy: -7.587 flat angles C4'-P-C4' energy: -8.324 flat angles P-C4'-P energy: -6.359 tors. eta vs tors. theta energy: -1.507 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: 4 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -55.755195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -55.755195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -55.755195 (E_RNA) where: Base-Base interactions energy: -25.815 where: short stacking energy: -23.699 Base-Backbone interact. energy: -0.015 local terms energy: -29.925516 where: bonds (distance) C4'-P energy: -6.585 bonds (distance) P-C4' energy: -7.717 flat angles C4'-P-C4' energy: -6.288 flat angles P-C4'-P energy: -4.029 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: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -40.759662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -40.759662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -40.759662 (E_RNA) where: Base-Base interactions energy: -14.832 where: short stacking energy: -14.832 Base-Backbone interact. energy: -0.027 local terms energy: -25.900493 where: bonds (distance) C4'-P energy: -5.597 bonds (distance) P-C4' energy: -8.425 flat angles C4'-P-C4' energy: -6.971 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -0.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -44.262695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.262695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.262695 (E_RNA) where: Base-Base interactions energy: -14.682 where: short stacking energy: -14.598 Base-Backbone interact. energy: -0.010 local terms energy: -29.571079 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -9.063 flat angles C4'-P-C4' energy: -7.252 flat angles P-C4'-P energy: -3.948 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: 10, replica: 3 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -44.612851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -44.612851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -44.612851 (E_RNA) where: Base-Base interactions energy: -16.811 where: short stacking energy: -13.155 Base-Backbone interact. energy: -0.279 local terms energy: -27.523118 where: bonds (distance) C4'-P energy: -7.356 bonds (distance) P-C4' energy: -5.688 flat angles C4'-P-C4' energy: -7.850 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -0.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -70.753513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.753513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.753513 (E_RNA) where: Base-Base interactions energy: -29.678 where: short stacking energy: -29.678 Base-Backbone interact. energy: -0.000 local terms energy: -41.075701 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -7.308 flat angles C4'-P-C4' energy: -7.343 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -11.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -68.328283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.328283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.328283 (E_RNA) where: Base-Base interactions energy: -35.257 where: short stacking energy: -23.983 Base-Backbone interact. energy: -0.113 local terms energy: -32.958444 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -9.306 flat angles C4'-P-C4' energy: -6.073 flat angles P-C4'-P energy: -4.611 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: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -59.526775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -59.526775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -59.526775 (E_RNA) where: Base-Base interactions energy: -28.327 where: short stacking energy: -24.830 Base-Backbone interact. energy: -0.008 local terms energy: -31.191560 where: bonds (distance) C4'-P energy: -8.077 bonds (distance) P-C4' energy: -4.240 flat angles C4'-P-C4' energy: -5.839 flat angles P-C4'-P energy: -5.937 tors. eta vs tors. theta energy: -7.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -64.091197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.091197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.091197 (E_RNA) where: Base-Base interactions energy: -28.658 where: short stacking energy: -28.658 Base-Backbone interact. energy: -0.000 local terms energy: -35.432870 where: bonds (distance) C4'-P energy: -7.952 bonds (distance) P-C4' energy: -8.833 flat angles C4'-P-C4' energy: -4.962 flat angles P-C4'-P energy: -4.549 tors. eta vs tors. theta energy: -9.137 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: 9 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -52.367075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.367075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.367075 (E_RNA) where: Base-Base interactions energy: -14.842 where: short stacking energy: -14.842 Base-Backbone interact. energy: -0.017 local terms energy: -37.508235 where: bonds (distance) C4'-P energy: -7.873 bonds (distance) P-C4' energy: -9.585 flat angles C4'-P-C4' energy: -8.089 flat angles P-C4'-P energy: -7.018 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: 6, replica: 8 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -48.731447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -48.731447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -48.731447 (E_RNA) where: Base-Base interactions energy: -16.692 where: short stacking energy: -16.692 Base-Backbone interact. energy: -0.006 local terms energy: -32.033057 where: bonds (distance) C4'-P energy: -7.666 bonds (distance) P-C4' energy: -5.343 flat angles C4'-P-C4' energy: -8.247 flat angles P-C4'-P energy: -6.107 tors. eta vs tors. theta energy: -4.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -46.085050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.085050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.085050 (E_RNA) where: Base-Base interactions energy: -14.195 where: short stacking energy: -12.548 Base-Backbone interact. energy: -0.140 local terms energy: -31.749725 where: bonds (distance) C4'-P energy: -7.166 bonds (distance) P-C4' energy: -7.591 flat angles C4'-P-C4' energy: -7.186 flat angles P-C4'-P energy: -6.488 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: 8, replica: 4 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -53.287334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -53.287334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -53.287334 (E_RNA) where: Base-Base interactions energy: -19.382 where: short stacking energy: -19.382 Base-Backbone interact. energy: -0.050 local terms energy: -33.855267 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -8.274 flat angles C4'-P-C4' energy: -7.299 flat angles P-C4'-P energy: -5.771 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: 9, replica: 3 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -41.850571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -41.850571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -41.850571 (E_RNA) where: Base-Base interactions energy: -12.057 where: short stacking energy: -12.057 Base-Backbone interact. energy: -0.001 local terms energy: -29.793433 where: bonds (distance) C4'-P energy: -5.687 bonds (distance) P-C4' energy: -8.397 flat angles C4'-P-C4' energy: -4.343 flat angles P-C4'-P energy: -5.787 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: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -42.099592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.099592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.099592 (E_RNA) where: Base-Base interactions energy: -19.104 where: short stacking energy: -13.636 Base-Backbone interact. energy: -0.060 local terms energy: -22.935406 where: bonds (distance) C4'-P energy: -5.440 bonds (distance) P-C4' energy: -6.205 flat angles C4'-P-C4' energy: -6.338 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: 0.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -61.040155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -61.040155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -61.040155 (E_RNA) where: Base-Base interactions energy: -26.478 where: short stacking energy: -21.335 Base-Backbone interact. energy: 0.565 local terms energy: -35.126793 where: bonds (distance) C4'-P energy: -6.905 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -8.369 flat angles P-C4'-P energy: -5.605 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: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -56.911361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -56.911361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -56.911361 (E_RNA) where: Base-Base interactions energy: -24.859 where: short stacking energy: -16.534 Base-Backbone interact. energy: -0.062 local terms energy: -31.990888 where: bonds (distance) C4'-P energy: -6.834 bonds (distance) P-C4' energy: -7.762 flat angles C4'-P-C4' energy: -7.656 flat angles P-C4'-P energy: -5.163 tors. eta vs tors. theta energy: -4.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -58.656219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -58.656219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -58.656219 (E_RNA) where: Base-Base interactions energy: -27.993 where: short stacking energy: -17.271 Base-Backbone interact. energy: -0.001 local terms energy: -30.661822 where: bonds (distance) C4'-P energy: -6.175 bonds (distance) P-C4' energy: -9.560 flat angles C4'-P-C4' energy: -4.924 flat angles P-C4'-P energy: -7.024 tors. eta vs tors. theta energy: -2.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -62.383646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.383646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.383646 (E_RNA) where: Base-Base interactions energy: -33.803 where: short stacking energy: -17.109 Base-Backbone interact. energy: -0.010 local terms energy: -28.570608 where: bonds (distance) C4'-P energy: -7.240 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -7.291 flat angles P-C4'-P energy: -3.517 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -54.351358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -54.351358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -54.351358 (E_RNA) where: Base-Base interactions energy: -29.527 where: short stacking energy: -22.289 Base-Backbone interact. energy: -0.000 local terms energy: -24.824086 where: bonds (distance) C4'-P energy: -1.585 bonds (distance) P-C4' energy: -8.312 flat angles C4'-P-C4' energy: -4.997 flat angles P-C4'-P energy: -2.732 tors. eta vs tors. theta energy: -7.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -52.823514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -52.823514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -52.823514 (E_RNA) where: Base-Base interactions energy: -19.655 where: short stacking energy: -19.655 Base-Backbone interact. energy: -0.000 local terms energy: -33.168294 where: bonds (distance) C4'-P energy: -8.317 bonds (distance) P-C4' energy: -8.548 flat angles C4'-P-C4' energy: -7.356 flat angles P-C4'-P energy: -4.220 tors. eta vs tors. theta energy: -4.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -43.198906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -43.198906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -43.198906 (E_RNA) where: Base-Base interactions energy: -23.466 where: short stacking energy: -11.236 Base-Backbone interact. energy: -0.100 local terms energy: -19.632895 where: bonds (distance) C4'-P energy: -7.630 bonds (distance) P-C4' energy: -7.720 flat angles C4'-P-C4' energy: -3.605 flat angles P-C4'-P energy: -3.313 tors. eta vs tors. theta energy: 2.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -46.675929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -46.675929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -46.675929 (E_RNA) where: Base-Base interactions energy: -23.718 where: short stacking energy: -13.426 Base-Backbone interact. energy: -0.046 local terms energy: -22.911820 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -7.953 flat angles C4'-P-C4' energy: -4.489 flat angles P-C4'-P energy: -4.231 tors. eta vs tors. theta energy: 1.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -36.565017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -36.565017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -36.565017 (E_RNA) where: Base-Base interactions energy: -13.655 where: short stacking energy: -11.087 Base-Backbone interact. energy: -0.020 local terms energy: -22.889957 where: bonds (distance) C4'-P energy: -7.075 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -4.475 flat angles P-C4'-P energy: -4.409 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: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -42.468003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -42.468003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -42.468003 (E_RNA) where: Base-Base interactions energy: -15.648 where: short stacking energy: -15.648 Base-Backbone interact. energy: 0.584 local terms energy: -27.404220 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -6.954 flat angles C4'-P-C4' energy: -8.220 flat angles P-C4'-P energy: -5.732 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) replica 7 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 11814070 moves confirmed later: 14636480 all moves confirmed: 26450550 percent of confirmed moves: 3.306319 current total energy: -31.752331 recalc. total energy: -31.752331 replica 6 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 11899204 moves confirmed later: 14763291 all moves confirmed: 26662495 percent of confirmed moves: 3.332812 current total energy: -18.232131 recalc. total energy: -18.232131 replica 9 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 11971640 moves confirmed later: 14902052 all moves confirmed: 26873692 percent of confirmed moves: 3.359211 current total energy: -32.951826 recalc. total energy: -32.951826 replica 5 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 11980992 moves confirmed later: 14923918 all moves confirmed: 26904910 percent of confirmed moves: 3.363114 current total energy: -15.359201 recalc. total energy: -15.359201 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 11625032 moves confirmed later: 14357097 all moves confirmed: 25982129 percent of confirmed moves: 3.247766 current total energy: -38.611033 recalc. total energy: -38.611033 replica 8 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 11825704 moves confirmed later: 14672274 all moves confirmed: 26497978 percent of confirmed moves: 3.312247 current total energy: -32.108109 recalc. total energy: -32.108109 replica 3 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 11813594 moves confirmed later: 14638620 all moves confirmed: 26452214 percent of confirmed moves: 3.306527 current total energy: -28.500682 recalc. total energy: -28.500682 replica 2 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 11927980 moves confirmed later: 14825426 all moves confirmed: 26753406 percent of confirmed moves: 3.344176 current total energy: -8.331901 recalc. total energy: -8.331901 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 11647001 moves confirmed later: 14376370 all moves confirmed: 26023371 percent of confirmed moves: 3.252921 current total energy: -12.015420 recalc. total energy: -12.015420 replica 4 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 11816731 moves confirmed later: 14633333 all moves confirmed: 26450064 percent of confirmed moves: 3.306258 current total energy: -11.200529 recalc. total energy: -11.200529 out arg RESULTS//1/RNA-BYH-81c2b68e_01 Time of doing 8000000 iterations: 531.089 seconds